Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
46780481 | 107504 | 20 | None | -6 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
9903970 | 107504 | 20 | None | -6 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3187365 | 107504 | 20 | None | -6 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3544974 | 107504 | 20 | None | -6 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
3151 | 1450 | 97 | None | -1905 | 24 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
945 | 1450 | 97 | None | -1905 | 24 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
965 | 1450 | 97 | None | -1905 | 24 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL219916 | 1450 | 97 | None | -1905 | 24 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB01184 | 1450 | 97 | None | -1905 | 24 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
216239 | 23763 | 118 | None | -5 | 11 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200485 | 23763 | 118 | None | -5 | 11 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1336 | 23763 | 118 | None | -5 | 11 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
2176 | 49615 | 81 | None | - | 1 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 447 | 6 | 1 | 8 | 2.6 | CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1566249 | 49615 | 81 | None | - | 1 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 447 | 6 | 1 | 8 | 2.6 | CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
72106 | 78163 | 60 | None | -3 | 3 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 395 | 6 | 1 | 6 | 3.3 | O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2105059 | 78163 | 60 | None | -3 | 3 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 395 | 6 | 1 | 6 | 3.3 | O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
45138674 | 16614 | 50 | None | -5 | 6 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 572 | 6 | 1 | 7 | 5.7 | COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1241951 | 16614 | 50 | None | -5 | 6 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 572 | 6 | 1 | 7 | 5.7 | COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
439280 | 119993 | 107 | None | -25 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1038/s41467-023-40064-9 | ||
6971044 | 119993 | 107 | None | -25 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL350221 | 119993 | 107 | None | -25 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1038/s41467-023-40064-9 | ||
432824 | 78235 | 13 | None | -1 | 4 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 273 | 2 | 0 | 2 | 3.5 | CC(C)N1CCOC(c2cccc(C(F)(F)F)c2)C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2106996 | 78235 | 13 | None | -1 | 4 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 273 | 2 | 0 | 2 | 3.5 | CC(C)N1CCOC(c2cccc(C(F)(F)F)c2)C1 | 10.1038/s41467-023-40064-9 | ||
242 | 469 | 124 | None | -33 | 33 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
34 | 469 | 124 | None | -33 | 33 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
60795 | 469 | 124 | None | -33 | 33 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL1112 | 469 | 124 | None | -33 | 33 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
DB01238 | 469 | 124 | None | -33 | 33 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
123606 | 351 | 70 | None | -199 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 335 | 6 | 1 | 3 | 2.2 | CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C | 10.1038/s41467-023-40064-9 | ||
128 | 351 | 70 | None | -199 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 335 | 6 | 1 | 3 | 2.2 | CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C | 10.1038/s41467-023-40064-9 | ||
7110 | 351 | 70 | None | -199 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 335 | 6 | 1 | 3 | 2.2 | CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1505 | 351 | 70 | None | -199 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 335 | 6 | 1 | 3 | 2.2 | CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C | 10.1038/s41467-023-40064-9 | ||
DB00918 | 351 | 70 | None | -199 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 335 | 6 | 1 | 3 | 2.2 | CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C | 10.1038/s41467-023-40064-9 | ||
5994 | 4609 | 88 | None | -3 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | ||
CHEMBL103 | 4609 | 88 | None | -3 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | ||
2335 | 11816 | 22 | None | -81 | 34 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
8478 | 11816 | 22 | None | -81 | 34 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1182210 | 11816 | 22 | None | -81 | 34 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL221753 | 11816 | 22 | None | -81 | 34 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
3149 | 12582 | 15 | None | -30 | 26 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1187011 | 12582 | 15 | None | -30 | 26 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
56959 | 31526 | 103 | None | -7 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1404 | 31526 | 103 | None | -7 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1526084 | 31526 | 103 | None | -7 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
4034 | 55792 | 55 | None | -8 | 18 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1623 | 55792 | 55 | None | -8 | 18 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
71398 | 106412 | 44 | None | -1548 | 14 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL313972 | 106412 | 44 | None | -1548 | 14 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
180 | 400 | 56 | None | -398 | 38 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
200 | 400 | 56 | None | -398 | 38 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
2160 | 400 | 56 | None | -398 | 38 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL629 | 400 | 56 | None | -398 | 38 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00321 | 400 | 56 | None | -398 | 38 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
1890 | 2739 | 49 | None | -2 | 24 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
4449 | 2739 | 49 | None | -2 | 24 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
7247 | 2739 | 49 | None | -2 | 24 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL623 | 2739 | 49 | None | -2 | 24 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
DB01149 | 2739 | 49 | None | -2 | 24 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
3316 | 31730 | 71 | None | 17 | 4 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 221 | 7 | 1 | 2 | 2.7 | CCCCCCOc1ccccc1C(N)=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1405973 | 31730 | 71 | None | 17 | 4 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 221 | 7 | 1 | 2 | 2.7 | CCCCCCOc1ccccc1C(N)=O | 10.1038/s41467-023-40064-9 | ||
4993 | 122331 | 110 | None | -5 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 248 | 2 | 2 | 4 | 2.5 | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL36 | 122331 | 110 | None | -5 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 248 | 2 | 2 | 4 | 2.5 | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
441074 | 19382 | 82 | None | 1 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1294 | 19382 | 82 | None | 1 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
3658 | 4076 | 53 | None | -141 | 18 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
517 | 4076 | 53 | None | -141 | 18 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
5709 | 4076 | 53 | None | -141 | 18 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL312448 | 4076 | 53 | None | -141 | 18 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
DB06694 | 4076 | 53 | None | -141 | 18 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
191 | 402 | 98 | None | -3 | 36 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
201 | 402 | 98 | None | -3 | 36 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
2170 | 402 | 98 | None | -3 | 36 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1113 | 402 | 98 | None | -3 | 36 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
DB00543 | 402 | 98 | None | -3 | 36 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
1613 | 2333 | 53 | None | -5 | 34 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
205 | 2333 | 53 | None | -5 | 34 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
3964 | 2333 | 53 | None | -5 | 34 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL831 | 2333 | 53 | None | -5 | 34 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
DB00408 | 2333 | 53 | None | -5 | 34 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
4640 | 78237 | 30 | None | 1 | 11 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL2107011 | 78237 | 30 | None | 1 | 11 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
3158 | 56237 | 27 | None | -323 | 28 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1628227 | 56237 | 27 | None | -323 | 28 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
4011 | 82379 | 49 | None | -75 | 26 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL21731 | 82379 | 49 | None | -75 | 26 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
2520 | 203985 | 70 | None | -1 | 20 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL1280 | 203985 | 70 | None | -1 | 20 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL6966 | 203985 | 70 | None | -1 | 20 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
5906 | 14463 | 23 | None | 1 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201319 | 14463 | 23 | None | 1 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
72093 | 35031 | 9 | None | -2 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1433361 | 35031 | 9 | None | -2 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2103773 | 35031 | 9 | None | -2 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
4746 | 204868 | 31 | None | -10 | 19 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1334033 | 204868 | 31 | None | -10 | 19 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL75880 | 204868 | 31 | None | -10 | 19 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
1012 | 26 | 86 | None | -7079 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 272 | 0 | 2 | 2 | 3.6 | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C | 10.1038/s41467-023-40064-9 | ||
1013 | 26 | 86 | None | -7079 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 272 | 0 | 2 | 2 | 3.6 | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C | 10.1038/s41467-023-40064-9 | ||
1057 | 26 | 86 | None | -7079 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 272 | 0 | 2 | 2 | 3.6 | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C | 10.1038/s41467-023-40064-9 | ||
5757 | 26 | 86 | None | -7079 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 272 | 0 | 2 | 2 | 3.6 | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL135 | 26 | 86 | None | -7079 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 272 | 0 | 2 | 2 | 3.6 | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C | 10.1038/s41467-023-40064-9 | ||
DB00783 | 26 | 86 | None | -7079 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 272 | 0 | 2 | 2 | 3.6 | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C | 10.1038/s41467-023-40064-9 | ||
1224 | 1420 | 83 | None | -707 | 22 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
3100 | 1420 | 83 | None | -707 | 22 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
8980 | 1420 | 83 | None | -707 | 22 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
916 | 1420 | 83 | None | -707 | 22 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL657 | 1420 | 83 | None | -707 | 22 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
DB01075 | 1420 | 83 | None | -707 | 22 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
202 | 1496 | 77 | None | -8 | 17 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
60835 | 1496 | 77 | None | -8 | 17 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
972 | 1496 | 77 | None | -8 | 17 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1175 | 1496 | 77 | None | -8 | 17 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00476 | 1496 | 77 | None | -8 | 17 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2419 | 3437 | 84 | None | -25703 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
5152 | 3437 | 84 | None | -25703 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
559 | 3437 | 84 | None | -25703 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1263 | 3437 | 84 | None | -25703 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
DB00938 | 3437 | 84 | None | -25703 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
5077 | 3552 | 79 | None | -457 | 13 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | ||
7552 | 3552 | 79 | None | -457 | 13 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | ||
9913767 | 3552 | 79 | None | -457 | 13 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL238804 | 3552 | 79 | None | -457 | 13 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | ||
DB11362 | 3552 | 79 | None | -457 | 13 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | ||
2855 | 4101 | 104 | None | -6025 | 12 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
3322 | 4101 | 104 | None | -6025 | 12 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
5717 | 4101 | 104 | None | -6025 | 12 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL603 | 4101 | 104 | None | -6025 | 12 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
DB00549 | 4101 | 104 | None | -6025 | 12 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
5029 | 15513 | 92 | None | -6 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 359 | 8 | 1 | 5 | 3.0 | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1219 | 15513 | 92 | None | -6 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 359 | 8 | 1 | 5 | 3.0 | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C | 10.1038/s41467-023-40064-9 | ||
2162 | 41484 | 100 | None | -6 | 22 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL1491 | 41484 | 100 | None | -6 | 22 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
47510 | 172522 | 39 | None | -7 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 220 | 1 | 3 | 2 | 1.4 | CN=C(N)NC(=O)Nc1c(C)cccc1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL448416 | 172522 | 39 | None | -7 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 220 | 1 | 3 | 2 | 1.4 | CN=C(N)NC(=O)Nc1c(C)cccc1C | 10.1038/s41467-023-40064-9 | ||
22323 | 15267 | 32 | None | -6 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
9571037 | 15267 | 32 | None | -6 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1213553 | 15267 | 32 | None | -6 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
2895 | 203569 | 41 | None | -60 | 15 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL669 | 203569 | 41 | None | -60 | 15 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
2713 | 205248 | 82 | None | -1 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
5353524 | 205248 | 82 | None | -1 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
5360566 | 205248 | 82 | None | -1 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
88536661 | 205248 | 82 | None | -1 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
9552079 | 205248 | 82 | None | -1 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1330113 | 205248 | 82 | None | -1 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL790 | 205248 | 82 | None | -1 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
2543 | 3681 | 68 | None | -1023 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
5358 | 3681 | 68 | None | -1023 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
54 | 3681 | 68 | None | -1023 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL128 | 3681 | 68 | None | -1023 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
DB00669 | 3681 | 68 | None | -1023 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
443955 | 204347 | 92 | None | -11 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 350 | 3 | 0 | 4 | 4.1 | CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 | 10.1038/s41467-023-40064-9 | ||
CHEMBL71752 | 204347 | 92 | None | -11 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 350 | 3 | 0 | 4 | 4.1 | CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 | 10.1038/s41467-023-40064-9 | ||
5357 | 98708 | 41 | None | -117 | 5 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 354 | 7 | 1 | 5 | 1.7 | CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL277945 | 98708 | 41 | None | -117 | 5 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 354 | 7 | 1 | 5 | 1.7 | CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC | 10.1038/s41467-023-40064-9 | ||
16351 | 102703 | 47 | None | -208 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL304902 | 102703 | 47 | None | -208 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
57469 | 18834 | 125 | None | -10 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1282 | 18834 | 125 | None | -10 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
2286 | 3161 | 51 | None | -40 | 28 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
4927 | 3161 | 51 | None | -40 | 28 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
7282 | 3161 | 51 | None | -40 | 28 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL643 | 3161 | 51 | None | -40 | 28 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
DB01069 | 3161 | 51 | None | -40 | 28 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
2393 | 3309 | 82 | None | -2511 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
5078 | 3309 | 82 | None | -2511 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
51 | 3309 | 82 | None | -2511 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL905 | 3309 | 82 | None | -2511 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
DB00953 | 3309 | 82 | None | -2511 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
4046 | 2466 | 33 | None | -33 | 17 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
4252 | 2466 | 33 | None | -33 | 17 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL416956 | 2466 | 33 | None | -33 | 17 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
DB00358 | 2466 | 33 | None | -33 | 17 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
104850 | 3305 | 96 | None | -1230 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
4150 | 3305 | 96 | None | -1230 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
743 | 3305 | 96 | None | -1230 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL111 | 3305 | 96 | None | -1230 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
DB06155 | 3305 | 96 | None | -1230 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
1056 | 3346 | 116 | None | -25 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | ||
2405 | 3346 | 116 | None | -25 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | ||
77999 | 3346 | 116 | None | -25 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL121 | 3346 | 116 | None | -25 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | ||
DB00412 | 3346 | 116 | None | -25 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | ||
24776445 | 3966 | 115 | None | -1778 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 420 | 4 | 1 | 4 | 4.7 | O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl | 10.1038/s41467-023-40064-9 | ||
4227 | 3966 | 115 | None | -1778 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 420 | 4 | 1 | 4 | 4.7 | O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl | 10.1038/s41467-023-40064-9 | ||
6975 | 3966 | 115 | None | -1778 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 420 | 4 | 1 | 4 | 4.7 | O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL473417 | 3966 | 115 | None | -1778 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 420 | 4 | 1 | 4 | 4.7 | O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl | 10.1038/s41467-023-40064-9 | ||
DB08828 | 3966 | 115 | None | -1778 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 420 | 4 | 1 | 4 | 4.7 | O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl | 10.1038/s41467-023-40064-9 | ||
3081361 | 93905 | 123 | None | -22 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 474 | 5 | 1 | 5 | 4.4 | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL24828 | 93905 | 123 | None | -22 | 14 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 474 | 5 | 1 | 5 | 4.4 | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | 10.1038/s41467-023-40064-9 | ||
2372 | 106441 | 40 | None | -537 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL314010 | 106441 | 40 | None | -537 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
71731823 | 111678 | 61 | None | -11 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 406 | 0 | 1 | 7 | 2.8 | C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3286830 | 111678 | 61 | None | -11 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 406 | 0 | 1 | 7 | 2.8 | C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 | 10.1038/s41467-023-40064-9 | ||
3074 | 17926 | 26 | None | -12 | 7 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 604 | 16 | 0 | 12 | 3.5 | COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL126075 | 17926 | 26 | None | -12 | 7 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 604 | 16 | 0 | 12 | 3.5 | COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL508338 | 188942 | 0 | None | -218 | 15 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
2105 | 3032 | 37 | None | -3 | 25 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
47811 | 3032 | 37 | None | -3 | 25 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
48 | 3032 | 37 | None | -3 | 25 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
CHEMBL531 | 3032 | 37 | None | -3 | 25 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
DB01186 | 3032 | 37 | None | -3 | 25 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
124087 | 1377 | 114 | None | -1 | 27 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
7157 | 1377 | 114 | None | -1 | 27 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
814 | 1377 | 114 | None | -1 | 27 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1172 | 1377 | 114 | None | -1 | 27 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
DB00967 | 1377 | 114 | None | -1 | 27 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
2165 | 203760 | 71 | None | 3 | 8 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 355 | 6 | 2 | 4 | 5.2 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O | 10.1038/s41467-023-40064-9 | ||
3647519 | 203760 | 71 | None | 3 | 8 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 355 | 6 | 2 | 4 | 5.2 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O | 10.1038/s41467-023-40064-9 | ||
CHEMBL682 | 203760 | 71 | None | 3 | 8 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 355 | 6 | 2 | 4 | 5.2 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O | 10.1038/s41467-023-40064-9 | ||
3108 | 207264 | 116 | None | -7 | 7 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 504 | 12 | 4 | 12 | -0.0 | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL932 | 207264 | 116 | None | -7 | 7 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 504 | 12 | 4 | 12 | -0.0 | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | 10.1038/s41467-023-40064-9 | ||
1209 | 1645 | 75 | None | -56 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
203 | 1645 | 75 | None | -56 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
3386 | 1645 | 75 | None | -56 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
CHEMBL41 | 1645 | 75 | None | -56 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
DB00472 | 1645 | 75 | None | -56 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
260 | 3840 | 54 | None | -15 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2775 | 3840 | 54 | None | -15 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
656665 | 3840 | 54 | None | -15 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL56564 | 3840 | 54 | None | -15 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB11699 | 3840 | 54 | None | -15 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
4497 | 34374 | 99 | None | -9 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 418 | 8 | 1 | 8 | 3.0 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1428 | 34374 | 99 | None | -9 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 418 | 8 | 1 | 8 | 3.0 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
3823 | 50191 | 42 | None | -38 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
76973198 | 50191 | 42 | None | -38 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL157101 | 50191 | 42 | None | -38 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
10831 | 116937 | 25 | None | -3 | 6 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 397 | 7 | 2 | 5 | 4.3 | O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL338667 | 116937 | 25 | None | -3 | 6 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 397 | 7 | 2 | 5 | 4.3 | O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3488 | 179112 | 115 | None | -120 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 493 | 8 | 3 | 5 | 3.6 | COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL472 | 179112 | 115 | None | -120 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 493 | 8 | 3 | 5 | 3.6 | COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
636403 | 188244 | 22 | None | -6 | 7 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 570 | 5 | 2 | 5 | 6.8 | CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL499915 | 188244 | 22 | None | -6 | 7 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 570 | 5 | 2 | 5 | 6.8 | CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
31703 | 194694 | 63 | None | -23 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL359744 | 194694 | 63 | None | -23 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL53463 | 194694 | 63 | None | -23 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
2333 | 142310 | 97 | None | -1 | 14 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL388590 | 142310 | 97 | None | -1 | 14 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
2169 | 44817 | 35 | None | -26 | 12 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL152231 | 44817 | 35 | None | -26 | 12 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
5453 | 203596 | 102 | None | -36 | 14 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 189 | 3 | 0 | 1 | 0.2 | S=P(N1CC1)(N1CC1)N1CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL671 | 203596 | 102 | None | -36 | 14 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 189 | 3 | 0 | 1 | 0.2 | S=P(N1CC1)(N1CC1)N1CC1 | 10.1038/s41467-023-40064-9 | ||
19861 | 207500 | 50 | None | -75 | 10 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 290 | 0 | 0 | 2 | 3.7 | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL946 | 207500 | 50 | None | -75 | 10 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 290 | 0 | 0 | 2 | 3.7 | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1038/s41467-023-40064-9 | ||
137 | 369 | 52 | None | -7244 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
2119 | 369 | 52 | None | -7244 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
563 | 369 | 52 | None | -7244 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
66368 | 369 | 52 | None | -7244 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL266195 | 369 | 52 | None | -7244 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
DB00866 | 369 | 52 | None | -7244 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
2541 | 783 | 120 | None | -8511 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | ||
587 | 783 | 120 | None | -8511 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | ||
6907 | 783 | 120 | None | -8511 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1016 | 783 | 120 | None | -8511 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | ||
DB00796 | 783 | 120 | None | -8511 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | ||
DB13919 | 783 | 120 | None | -8511 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | ||
4942 | 5686 | 50 | None | -19 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 367 | 7 | 0 | 4 | 4.0 | CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1078261 | 5686 | 50 | None | -19 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 367 | 7 | 0 | 4 | 4.0 | CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
10102 | 2529 | 88 | None | -1548 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 3.4 | Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C | 10.1038/s41467-023-40064-9 | ||
1824 | 2529 | 88 | None | -1548 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 3.4 | Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C | 10.1038/s41467-023-40064-9 | ||
65906 | 2529 | 88 | None | -1548 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 3.4 | Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL94454 | 2529 | 88 | None | -1548 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 3.4 | Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C | 10.1038/s41467-023-40064-9 | ||
DB12523 | 2529 | 88 | None | -1548 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 3.4 | Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C | 10.1038/s41467-023-40064-9 | ||
41684 | 31191 | 105 | None | -38 | 32 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1401 | 31191 | 105 | None | -38 | 32 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
4499 | 59745 | 99 | None | -8 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 388 | 6 | 1 | 7 | 3.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | ||
CHEMBL1726 | 59745 | 99 | None | -8 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 388 | 6 | 1 | 7 | 3.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | ||
37367 | 8619 | 14 | None | - | 1 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 2 | 0 | 4 | 3.2 | CN(C)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1095282 | 8619 | 14 | None | - | 1 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 2 | 0 | 4 | 3.2 | CN(C)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O | 10.1038/s41467-023-40064-9 | ||
11954369 | 189059 | 24 | None | - | 1 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 394 | 2 | 2 | 4 | 2.7 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO | 10.1038/s41467-023-40064-9 | ||
CHEMBL509924 | 189059 | 24 | None | - | 1 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 394 | 2 | 2 | 4 | 2.7 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO | 10.1038/s41467-023-40064-9 | ||
5991 | 203896 | 72 | None | -3 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 296 | 0 | 2 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
CHEMBL691 | 203896 | 72 | None | -3 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 296 | 0 | 2 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
4760 | 204226 | 84 | None | - | 1 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 222 | 1 | 0 | 2 | 2.8 | O=C1c2ccccc2C(=O)C1c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL711 | 204226 | 84 | None | - | 1 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 222 | 1 | 0 | 2 | 2.8 | O=C1c2ccccc2C(=O)C1c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
4452 | 2742 | 19 | None | -107 | 21 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
983 | 2742 | 19 | None | -107 | 21 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL20734 | 2742 | 19 | None | -107 | 21 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
3294 | 1993 | 111 | None | -1862 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
71360 | 1993 | 111 | None | -1862 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
87 | 1993 | 111 | None | -1862 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL14376 | 1993 | 111 | None | -1862 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
DB04946 | 1993 | 111 | None | -1862 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
214 | 3831 | 58 | None | -26 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
2740 | 3831 | 58 | None | -26 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
5566 | 3831 | 58 | None | -26 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
66064 | 3831 | 58 | None | -26 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
CHEMBL422 | 3831 | 58 | None | -26 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
DB00831 | 3831 | 58 | None | -26 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
37 | 775 | 60 | None | -3 | 12 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
460 | 775 | 60 | None | -3 | 12 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
54746 | 775 | 60 | None | -3 | 12 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201087 | 775 | 60 | None | -3 | 12 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
DB00248 | 775 | 60 | None | -3 | 12 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
57469 | 18834 | 125 | None | -10 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1282 | 18834 | 125 | None | -10 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
46220502 | 112556 | 84 | None | -61 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 506 | 7 | 1 | 8 | 4.9 | CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3301610 | 112556 | 84 | None | -61 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 506 | 7 | 1 | 8 | 4.9 | CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1 | 10.1038/s41467-023-40064-9 | ||
44112 | 121264 | 48 | None | -478 | 12 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL357995 | 121264 | 48 | None | -478 | 12 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
2099 | 9275 | 55 | None | 52 | 5 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1110 | 9275 | 55 | None | 52 | 5 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | 10.1038/s41467-023-40064-9 | ||
68867 | 78144 | 38 | None | 1 | 13 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 402 | 7 | 2 | 6 | 3.1 | CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2104523 | 78144 | 38 | None | 1 | 13 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 402 | 7 | 2 | 6 | 3.1 | CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
43815 | 186896 | 64 | None | -125 | 20 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1708 | 186896 | 64 | None | -125 | 20 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL490 | 186896 | 64 | None | -125 | 20 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
60606 | 61530 | 73 | None | 1 | 8 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1771 | 61530 | 73 | None | 1 | 8 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
5591 | 157507 | 90 | None | 1 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL408 | 157507 | 90 | None | 1 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
4046 | 2466 | 33 | None | -33 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
4252 | 2466 | 33 | None | -33 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL416956 | 2466 | 33 | None | -33 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
DB00358 | 2466 | 33 | None | -33 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
108000 | 56823 | 39 | None | -58 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.9 | Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
135418340 | 56823 | 39 | None | -58 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.9 | Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1643895 | 56823 | 39 | None | -58 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.9 | Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
445643 | 97360 | 69 | None | -2 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL269732 | 97360 | 69 | None | -2 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | ||
5639 | 98867 | 75 | None | -398 | 13 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL279229 | 98867 | 75 | None | -398 | 13 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
198 | 312 | 126 | None | -724 | 4 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 10.1038/s41467-023-40064-9 | ||
82148 | 312 | 126 | None | -724 | 4 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 10.1038/s41467-023-40064-9 | ||
99 | 312 | 126 | None | -724 | 4 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL10878 | 312 | 126 | None | -724 | 4 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 10.1038/s41467-023-40064-9 | ||
DB06594 | 312 | 126 | None | -724 | 4 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 10.1038/s41467-023-40064-9 | ||
2726 | 916 | 68 | None | -134 | 42 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
621 | 916 | 68 | None | -134 | 42 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
83 | 916 | 68 | None | -134 | 42 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL71 | 916 | 68 | None | -134 | 42 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
DB00477 | 916 | 68 | None | -134 | 42 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
2473 | 163159 | 47 | None | -2454 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 248 | 5 | 2 | 4 | 1.7 | CC(C)(C)NCC(O)COc1ccccc1C#N | 10.1038/s41467-023-40064-9 | ||
CHEMBL418134 | 163159 | 47 | None | -2454 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 248 | 5 | 2 | 4 | 1.7 | CC(C)(C)NCC(O)COc1ccccc1C#N | 10.1038/s41467-023-40064-9 | ||
168871 | 89101 | 14 | None | -630 | 13 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 563 | 4 | 3 | 6 | 2.1 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2365712 | 89101 | 14 | None | -630 | 13 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 563 | 4 | 3 | 6 | 2.1 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
3752 | 27000 | 82 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 255 | 1 | 2 | 5 | 2.0 | Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL136497 | 27000 | 82 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 255 | 1 | 2 | 5 | 2.0 | Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1 | 10.1038/s41467-023-40064-9 | ||
6010 | 30667 | 44 | None | 1 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 302 | 0 | 1 | 2 | 4.3 | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1395 | 30667 | 44 | None | 1 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 302 | 0 | 1 | 2 | 4.3 | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | 10.1038/s41467-023-40064-9 | ||
146570 | 43424 | 67 | None | -6 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1508 | 43424 | 67 | None | -6 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
1400 | 1944 | 70 | None | -4 | 16 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3658 | 1944 | 70 | None | -4 | 16 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
7199 | 1944 | 70 | None | -4 | 16 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
91513 | 1944 | 70 | None | -4 | 16 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL896 | 1944 | 70 | None | -4 | 16 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00557 | 1944 | 70 | None | -4 | 16 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
4150 | 785 | 39 | None | -35 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | ||
5288 | 785 | 39 | None | -35 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | ||
644019 | 785 | 39 | None | -35 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL190461 | 785 | 39 | None | -35 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | ||
DB09061 | 785 | 39 | None | -35 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | ||
2865 | 4112 | 73 | None | -23 | 20 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
59 | 4112 | 73 | None | -23 | 20 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
60854 | 4112 | 73 | None | -23 | 20 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL708 | 4112 | 73 | None | -23 | 20 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00246 | 4112 | 73 | None | -23 | 20 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
4940 | 14438 | 35 | None | -7 | 15 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 340 | 5 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201210 | 14438 | 35 | None | -7 | 15 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 340 | 5 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
2202 | 3110 | 96 | None | -38 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
4850 | 3110 | 96 | None | -38 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
49 | 3110 | 96 | None | -38 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1371770 | 3110 | 96 | None | -38 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
DB12478 | 3110 | 96 | None | -38 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
3689 | 102744 | 55 | None | -331 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1372983 | 102744 | 55 | None | -331 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL305187 | 102744 | 55 | None | -331 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
4762 | 14437 | 27 | None | -1 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 177 | 1 | 1 | 2 | 1.7 | CC1NCCOC1c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201208 | 14437 | 27 | None | -1 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 177 | 1 | 1 | 2 | 1.7 | CC1NCCOC1c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
445643 | 97360 | 69 | None | -2 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL269732 | 97360 | 69 | None | -2 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | ||
53232 | 188601 | 95 | None | -3548 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL503 | 188601 | 95 | None | -3548 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | ||
448537 | 160226 | 89 | None | -28 | 31 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL411 | 160226 | 89 | None | -28 | 31 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
4756 | 16617 | 50 | None | -12 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201022 | 16617 | 50 | None | -12 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1242 | 16617 | 50 | None | -12 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
27812 | 66961 | 43 | None | -2 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 308 | 1 | 1 | 2 | 3.7 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC | 10.1038/s41467-023-40064-9 | ||
CHEMBL1868702 | 66961 | 43 | None | -2 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 308 | 1 | 1 | 2 | 3.7 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC | 10.1038/s41467-023-40064-9 | ||
1153 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
12668023 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
30026874 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
30026875 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
3341 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
6603851 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
933 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
939 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
985 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1160786 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1161520 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL588 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
DB00800 | 1615 | 58 | None | -28 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | ||
150 | 2492 | 21 | None | -2 | 17 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
1764 | 2492 | 21 | None | -2 | 17 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
8226 | 2492 | 21 | None | -2 | 17 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201356 | 2492 | 21 | None | -2 | 17 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
DB00353 | 2492 | 21 | None | -2 | 17 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
31101 | 726 | 40 | None | -165 | 29 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
35 | 726 | 40 | None | -165 | 29 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
403 | 726 | 40 | None | -165 | 29 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL493 | 726 | 40 | None | -165 | 29 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
DB01200 | 726 | 40 | None | -165 | 29 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
4046 | 2466 | 33 | None | -33 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
4252 | 2466 | 33 | None | -33 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL416956 | 2466 | 33 | None | -33 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
DB00358 | 2466 | 33 | None | -33 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
10007 | 14452 | 38 | None | 1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.6 | CC(C)(N)Cc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201269 | 14452 | 38 | None | 1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.6 | CC(C)(N)Cc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
54841 | 203104 | 52 | None | -14 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL641 | 203104 | 52 | None | -14 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
1201549 | 594 | 24 | None | -208 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
333 | 594 | 24 | None | -208 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
7601 | 594 | 24 | None | -208 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201203 | 594 | 24 | None | -208 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL438151 | 594 | 24 | None | -208 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00245 | 594 | 24 | None | -208 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
68873 | 43534 | 64 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 366 | 0 | 0 | 3 | 4.3 | C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1509 | 43534 | 64 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 366 | 0 | 0 | 3 | 4.3 | C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
319 | 1312 | 44 | None | -8317 | 18 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
321 | 1312 | 44 | None | -8317 | 18 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
444031 | 1312 | 44 | None | -8317 | 18 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
784 | 1312 | 44 | None | -8317 | 18 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1346 | 1312 | 44 | None | -8317 | 18 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
DB00496 | 1312 | 44 | None | -8317 | 18 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
4209 | 3141 | 75 | None | -22387 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
4893 | 3141 | 75 | None | -22387 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
503 | 3141 | 75 | None | -22387 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
5385 | 3141 | 75 | None | -22387 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2 | 3141 | 75 | None | -22387 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
DB00457 | 3141 | 75 | None | -22387 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL508338 | 188942 | 0 | None | -218 | 15 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
8730 | 195868 | 72 | None | -5 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
90657408 | 195868 | 72 | None | -5 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL559 | 195868 | 72 | None | -5 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
4612 | 205957 | 39 | None | -3 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 279 | 5 | 3 | 5 | 1.8 | CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL847 | 205957 | 39 | None | -3 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 279 | 5 | 3 | 5 | 1.8 | CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1 | 10.1038/s41467-023-40064-9 | ||
102 | 4096 | 48 | None | -16 | 20 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
3659 | 4096 | 48 | None | -16 | 20 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
8969 | 4096 | 48 | None | -16 | 20 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL15245 | 4096 | 48 | None | -16 | 20 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
DB01392 | 4096 | 48 | None | -16 | 20 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
26987 | 946 | 33 | None | -263 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
6063 | 946 | 33 | None | -263 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
671 | 946 | 33 | None | -263 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1626 | 946 | 33 | None | -263 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
DB00283 | 946 | 33 | None | -263 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
21722 | 17960 | 31 | None | -2 | 21 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL126224 | 17960 | 31 | None | -2 | 21 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
4450 | 178204 | 69 | None | -4 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(c2ccccc2)c2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL465026 | 178204 | 69 | None | -4 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(c2ccccc2)c2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
100 | 3776 | 58 | None | -125 | 38 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
2637 | 3776 | 58 | None | -125 | 38 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
5452 | 3776 | 58 | None | -125 | 38 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL479 | 3776 | 58 | None | -125 | 38 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
DB00679 | 3776 | 58 | None | -125 | 38 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
124 | 2960 | 47 | None | -457 | 25 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
2032 | 2960 | 47 | None | -457 | 25 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
4636 | 2960 | 47 | None | -457 | 25 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL762 | 2960 | 47 | None | -457 | 25 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
DB00935 | 2960 | 47 | None | -457 | 25 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
2995 | 204382 | 53 | None | -154 | 18 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1696 | 204382 | 53 | None | -154 | 18 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL72 | 204382 | 53 | None | -154 | 18 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
2220 | 3112 | 82 | None | -10 | 17 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
27400 | 3112 | 82 | None | -10 | 17 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
93 | 3112 | 82 | None | -10 | 17 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL294951 | 3112 | 82 | None | -10 | 17 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
DB06153 | 3112 | 82 | None | -10 | 17 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
11626560 | 200914 | 94 | None | 1 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL601719 | 200914 | 94 | None | 1 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
213 | 3824 | 55 | None | -16 | 22 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
2717 | 3824 | 55 | None | -16 | 22 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
5533 | 3824 | 55 | None | -16 | 22 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL621 | 3824 | 55 | None | -16 | 22 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00656 | 3824 | 55 | None | -16 | 22 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
2402 | 3345 | 62 | None | -512 | 17 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
5095 | 3345 | 62 | None | -512 | 17 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
7295 | 3345 | 62 | None | -512 | 17 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL589 | 3345 | 62 | None | -512 | 17 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
DB00268 | 3345 | 62 | None | -512 | 17 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
10531 | 1408 | 21 | None | -100 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
121 | 1408 | 21 | None | -100 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
888 | 1408 | 21 | None | -100 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1732 | 1408 | 21 | None | -100 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
DB00320 | 1408 | 21 | None | -100 | 26 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
2274 | 3151 | 58 | None | -35 | 37 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
4917 | 3151 | 58 | None | -35 | 37 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
7279 | 3151 | 58 | None | -35 | 37 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL728 | 3151 | 58 | None | -35 | 37 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
DB00433 | 3151 | 58 | None | -35 | 37 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
3926 | 207218 | 40 | None | -4 | 18 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL92870 | 207218 | 40 | None | -4 | 18 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
25271887 | 5128 | 84 | None | -7 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 159 | 5 | 2 | 2 | 1.1 | CC(C)C[C@H](CN)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
5486971 | 5128 | 84 | None | -7 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 159 | 5 | 2 | 2 | 1.1 | CC(C)C[C@H](CN)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1059 | 5128 | 84 | None | -7 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 159 | 5 | 2 | 2 | 1.1 | CC(C)C[C@H](CN)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
2351 | 4269 | 49 | None | -12 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1008 | 4269 | 49 | None | -12 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1257078 | 4269 | 49 | None | -12 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
50922675 | 112557 | 54 | None | -3 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 539 | 9 | 3 | 9 | 3.9 | COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3301612 | 112557 | 54 | None | -3 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 539 | 9 | 3 | 9 | 3.9 | COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1 | 10.1038/s41467-023-40064-9 | ||
154257 | 178595 | 67 | None | -6 | 19 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL46740 | 178595 | 67 | None | -6 | 19 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | ||
6127 | 14467 | 8 | None | -177 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 278 | 2 | 0 | 0 | 4.4 | C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201340 | 14467 | 8 | None | -177 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 278 | 2 | 0 | 0 | 4.4 | C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
5833 | 30453 | 74 | None | -2 | 4 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 416 | 1 | 0 | 5 | 4.9 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1393 | 30453 | 74 | None | -2 | 4 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 416 | 1 | 0 | 5 | 4.9 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 | 10.1038/s41467-023-40064-9 | ||
4413 | 98045 | 57 | None | -9 | 15 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL273264 | 98045 | 57 | None | -9 | 15 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | ||
5467 | 205905 | 43 | None | -46 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL84158 | 205905 | 43 | None | -46 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
5732 | 206912 | 59 | None | -138 | 4 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 307 | 3 | 0 | 3 | 3.2 | Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL911 | 206912 | 59 | None | -138 | 4 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 307 | 3 | 0 | 3 | 3.2 | Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 | 10.1038/s41467-023-40064-9 | ||
37 | 775 | 60 | None | -3 | 12 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
460 | 775 | 60 | None | -3 | 12 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
54746 | 775 | 60 | None | -3 | 12 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201087 | 775 | 60 | None | -3 | 12 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
DB00248 | 775 | 60 | None | -3 | 12 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
135 | 2515 | 43 | None | -5 | 33 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
1796 | 2515 | 43 | None | -5 | 33 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
4184 | 2515 | 43 | None | -5 | 33 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL6437 | 2515 | 43 | None | -5 | 33 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
DB06148 | 2515 | 43 | None | -5 | 33 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
168871 | 89101 | 14 | None | -630 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 563 | 4 | 3 | 6 | 2.1 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2365712 | 89101 | 14 | None | -630 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 563 | 4 | 3 | 6 | 2.1 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
242 | 469 | 124 | None | -33 | 33 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
34 | 469 | 124 | None | -33 | 33 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
60795 | 469 | 124 | None | -33 | 33 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL1112 | 469 | 124 | None | -33 | 33 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
DB01238 | 469 | 124 | None | -33 | 33 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
54477 | 84624 | 36 | None | -33 | 8 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL22242 | 84624 | 36 | None | -33 | 8 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | 10.1038/s41467-023-40064-9 | ||
72093 | 35031 | 9 | None | -2 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1433361 | 35031 | 9 | None | -2 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2103773 | 35031 | 9 | None | -2 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
4066 | 204603 | 78 | None | -194 | 16 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL73451 | 204603 | 78 | None | -194 | 16 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
2342 | 596 | 39 | None | 3 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | 10.1038/s41467-023-40064-9 | ||
331 | 596 | 39 | None | 3 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | 10.1038/s41467-023-40064-9 | ||
7124 | 596 | 39 | None | 3 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201250 | 596 | 39 | None | 3 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | 10.1038/s41467-023-40064-9 | ||
DB00767 | 596 | 39 | None | 3 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | 10.1038/s41467-023-40064-9 | ||
24826799 | 10766 | 104 | None | -10 | 20 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1171837 | 10766 | 104 | None | -10 | 20 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | ||
5411 | 204010 | 89 | None | -11220 | 11 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL698 | 204010 | 89 | None | -11220 | 11 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | 10.1038/s41467-023-40064-9 | ||
135409453 | 3744 | 41 | None | -28 | 36 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
226 | 3744 | 41 | None | -28 | 36 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL76370 | 3744 | 41 | None | -28 | 36 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
1481 | 2053 | 116 | None | -38904 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | ||
3749 | 2053 | 116 | None | -38904 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | ||
589 | 2053 | 116 | None | -38904 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | ||
6908 | 2053 | 116 | None | -38904 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1513 | 2053 | 116 | None | -38904 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | ||
DB01029 | 2053 | 116 | None | -38904 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | ||
1343 | 1876 | 62 | None | -79 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
3519 | 1876 | 62 | None | -79 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
522 | 1876 | 62 | None | -79 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL862 | 1876 | 62 | None | -79 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
DB01018 | 1876 | 62 | None | -79 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
1440 | 2014 | 119 | None | -93 | 7 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
1909 | 2014 | 119 | None | -93 | 7 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
3715 | 2014 | 119 | None | -93 | 7 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL6 | 2014 | 119 | None | -93 | 7 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
DB00328 | 2014 | 119 | None | -93 | 7 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
60198 | 14380 | 83 | None | -15 | 3 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 296 | 0 | 0 | 2 | 4.0 | C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200374 | 14380 | 83 | None | -15 | 3 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 296 | 0 | 0 | 2 | 4.0 | C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 | 10.1038/s41467-023-40064-9 | ||
5284550 | 41691 | 15 | None | -190 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1492500 | 41691 | 15 | None | -190 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
240 | 941 | 43 | None | -79 | 23 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
2769 | 941 | 43 | None | -79 | 23 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
44279790 | 941 | 43 | None | -79 | 23 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
660 | 941 | 43 | None | -79 | 23 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL1729 | 941 | 43 | None | -79 | 23 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL560739 | 941 | 43 | None | -79 | 23 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
DB00604 | 941 | 43 | None | -79 | 23 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
55645 | 84341 | 8 | None | -389 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2218861 | 84341 | 8 | None | -389 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
4993 | 122331 | 110 | None | -5 | 5 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 248 | 2 | 2 | 4 | 2.5 | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL36 | 122331 | 110 | None | -5 | 5 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 248 | 2 | 2 | 4 | 2.5 | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
54454 | 5226 | 88 | None | -1 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1064 | 5226 | 88 | None | -1 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | ||
4976 | 203556 | 29 | None | -426 | 15 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL668 | 203556 | 29 | None | -426 | 15 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
134 | 2497 | 24 | None | 2 | 18 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
1775 | 2497 | 24 | None | 2 | 18 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
9681 | 2497 | 24 | None | 2 | 18 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
CHEMBL1065 | 2497 | 24 | None | 2 | 18 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
DB00247 | 2497 | 24 | None | 2 | 18 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
67462786 | 120491 | 56 | None | 2 | 6 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 446 | 9 | 1 | 8 | 4.2 | COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3545376 | 120491 | 56 | None | 2 | 6 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 446 | 9 | 1 | 8 | 4.2 | COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 | 10.1038/s41467-023-40064-9 | ||
2337 | 3232 | 77 | None | -11 | 29 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
50 | 3232 | 77 | None | -11 | 29 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
5002 | 3232 | 77 | None | -11 | 29 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL716 | 3232 | 77 | None | -11 | 29 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB01224 | 3232 | 77 | None | -11 | 29 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2407 | 3347 | 76 | None | -128 | 17 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
59227 | 3347 | 76 | None | -128 | 17 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
941 | 3347 | 76 | None | -128 | 17 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1303 | 3347 | 76 | None | -128 | 17 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
DB05271 | 3347 | 76 | None | -128 | 17 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
1782 | 2501 | 84 | None | -45 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
241 | 2501 | 84 | None | -45 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
4168 | 2501 | 84 | None | -45 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
CHEMBL86 | 2501 | 84 | None | -45 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
DB01233 | 2501 | 84 | None | -45 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
2600 | 3750 | 74 | None | -15 | 32 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
2608 | 3750 | 74 | None | -15 | 32 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
5405 | 3750 | 74 | None | -15 | 32 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL17157 | 3750 | 74 | None | -15 | 32 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
DB00342 | 3750 | 74 | None | -15 | 32 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
392622 | 56282 | 95 | None | -3 | 20 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL163 | 56282 | 95 | None | -3 | 20 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | ||
25382 | 9125 | 37 | None | -117 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL110094 | 9125 | 37 | None | -117 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
441243 | 9804 | 58 | None | -288 | 11 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL114 | 9804 | 58 | None | -288 | 11 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | 10.1038/s41467-023-40064-9 | ||
3463 | 175122 | 107 | None | 3 | 4 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 250 | 6 | 1 | 2 | 3.6 | Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL457 | 175122 | 107 | None | 3 | 4 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 250 | 6 | 1 | 2 | 3.6 | Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1 | 10.1038/s41467-023-40064-9 | ||
2389 | 3306 | 118 | None | -91 | 29 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
5073 | 3306 | 118 | None | -91 | 29 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
96 | 3306 | 118 | None | -91 | 29 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL85 | 3306 | 118 | None | -91 | 29 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
DB00734 | 3306 | 118 | None | -91 | 29 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
17676 | 7040 | 29 | None | -1023 | 13 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
5281082 | 7040 | 29 | None | -1023 | 13 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1085 | 7040 | 29 | None | -1023 | 13 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
16362 | 3103 | 71 | None | -371 | 35 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2172 | 3103 | 71 | None | -371 | 35 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
90 | 3103 | 71 | None | -371 | 35 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1423 | 3103 | 71 | None | -371 | 35 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB01100 | 3103 | 71 | None | -371 | 35 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
11561674 | 189587 | 83 | None | - | 1 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 460 | 8 | 1 | 7 | 2.4 | CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL514800 | 189587 | 83 | None | - | 1 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 460 | 8 | 1 | 7 | 2.4 | CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
135398737 | 955 | 93 | None | -8 | 43 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
38 | 955 | 93 | None | -8 | 43 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
722 | 955 | 93 | None | -8 | 43 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL42 | 955 | 93 | None | -8 | 43 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00363 | 955 | 93 | None | -8 | 43 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
1222 | 1651 | 49 | None | -107 | 25 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3396 | 1651 | 49 | None | -107 | 25 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
85 | 1651 | 49 | None | -107 | 25 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL46516 | 1651 | 49 | None | -107 | 25 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB04842 | 1651 | 49 | None | -107 | 25 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
228 | 444 | 28 | None | -575 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
33 | 444 | 28 | None | -575 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
6005 | 444 | 28 | None | -575 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL53 | 444 | 28 | None | -575 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
DB00714 | 444 | 28 | None | -575 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
19675 | 51640 | 43 | None | -363 | 15 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1584 | 51640 | 43 | None | -363 | 15 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
49806720 | 60050 | 99 | None | 1 | 4 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 482 | 3 | 1 | 5 | 4.8 | CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1738797 | 60050 | 99 | None | 1 | 4 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 482 | 3 | 1 | 5 | 4.8 | CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O | 10.1038/s41467-023-40064-9 | ||
212 | 3777 | 47 | None | -758 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
2639 | 3777 | 47 | None | -758 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
941651 | 3777 | 47 | None | -758 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201 | 3777 | 47 | None | -758 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
DB01623 | 3777 | 47 | None | -758 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
2318 | 154832 | 29 | None | 3 | 15 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL400599 | 154832 | 29 | None | 3 | 15 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
1427 | 2000 | 54 | None | -1621 | 30 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
357 | 2000 | 54 | None | -1621 | 30 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
3696 | 2000 | 54 | None | -1621 | 30 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL11 | 2000 | 54 | None | -1621 | 30 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00458 | 2000 | 54 | None | -1621 | 30 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
165193 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
2303 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
4946 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
564 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
62882 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
63 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
66366 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
91536 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL27 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL452861 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
DB00571 | 3165 | 68 | None | -407 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
5329102 | 194703 | 86 | None | -8 | 37 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL535 | 194703 | 86 | None | -8 | 37 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
2470 | 3626 | 50 | None | -30902 | 23 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3300 | 3626 | 50 | None | -30902 | 23 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
5265 | 3626 | 50 | None | -30902 | 23 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
99 | 3626 | 50 | None | -30902 | 23 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL267930 | 3626 | 50 | None | -30902 | 23 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3704 | 78160 | 41 | None | 3 | 5 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 231 | 3 | 1 | 3 | 1.6 | C1=Cc2cccc(OCC3CNCCO3)c2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2105022 | 78160 | 41 | None | 3 | 5 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 231 | 3 | 1 | 3 | 1.6 | C1=Cc2cccc(OCC3CNCCO3)c2C1 | 10.1038/s41467-023-40064-9 | ||
2585 | 800 | 103 | None | -64 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
522 | 800 | 103 | None | -64 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
551 | 800 | 103 | None | -64 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL723 | 800 | 103 | None | -64 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
DB01136 | 800 | 103 | None | -64 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
31101 | 726 | 40 | None | -165 | 29 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
35 | 726 | 40 | None | -165 | 29 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
403 | 726 | 40 | None | -165 | 29 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL493 | 726 | 40 | None | -165 | 29 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
DB01200 | 726 | 40 | None | -165 | 29 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
135398745 | 2893 | 112 | None | -4 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
47 | 2893 | 112 | None | -4 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL715 | 2893 | 112 | None | -4 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00334 | 2893 | 112 | None | -4 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
2267 | 557 | 71 | None | -223 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
271 | 557 | 71 | None | -223 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
7121 | 557 | 71 | None | -223 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL639 | 557 | 71 | None | -223 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00972 | 557 | 71 | None | -223 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
3042 | 1402 | 35 | None | -1096 | 17 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | ||
355 | 1402 | 35 | None | -1096 | 17 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | ||
868 | 1402 | 35 | None | -1096 | 17 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | ||
CHEMBL1123 | 1402 | 35 | None | -1096 | 17 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | ||
DB00804 | 1402 | 35 | None | -1096 | 17 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | ||
4199 | 98817 | 42 | None | -9 | 3 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL278819 | 98817 | 42 | None | -9 | 3 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
2398 | 951 | 62 | None | -831 | 36 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
2801 | 951 | 62 | None | -831 | 36 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
701 | 951 | 62 | None | -831 | 36 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL415 | 951 | 62 | None | -831 | 36 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
DB01242 | 951 | 62 | None | -831 | 36 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
2284 | 3160 | 33 | None | -89 | 34 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
4926 | 3160 | 33 | None | -89 | 34 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
7281 | 3160 | 33 | None | -89 | 34 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL564 | 3160 | 33 | None | -89 | 34 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00420 | 3160 | 33 | None | -89 | 34 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
5803 | 162203 | 84 | None | -1 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 622 | 4 | 2 | 3 | 4.6 | O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL41632 | 162203 | 84 | None | -1 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 622 | 4 | 2 | 3 | 4.6 | O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | 10.1038/s41467-023-40064-9 | ||
1170 | 1620 | 75 | None | -109 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 501 | 10 | 3 | 4 | 5.5 | OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C | 10.1038/s41467-023-40064-9 | ||
3348 | 1620 | 75 | None | -109 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 501 | 10 | 3 | 4 | 5.5 | OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C | 10.1038/s41467-023-40064-9 | ||
4819 | 1620 | 75 | None | -109 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 501 | 10 | 3 | 4 | 5.5 | OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C | 10.1038/s41467-023-40064-9 | ||
74685737 | 1620 | 75 | None | -109 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 501 | 10 | 3 | 4 | 5.5 | OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL914 | 1620 | 75 | None | -109 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 501 | 10 | 3 | 4 | 5.5 | OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C | 10.1038/s41467-023-40064-9 | ||
DB00950 | 1620 | 75 | None | -109 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 501 | 10 | 3 | 4 | 5.5 | OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C | 10.1038/s41467-023-40064-9 | ||
2601 | 3751 | 33 | None | -186 | 17 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
443951 | 3751 | 33 | None | -186 | 17 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
56 | 3751 | 33 | None | -186 | 17 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
CHEMBL73151 | 3751 | 33 | None | -186 | 17 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
DB13399 | 3751 | 33 | None | -186 | 17 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
25102847 | 78192 | 93 | None | -4 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL2105717 | 78192 | 93 | None | -4 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
3949 | 100586 | 50 | None | -6 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 468 | 8 | 0 | 5 | 4.9 | COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL29188 | 100586 | 50 | None | -6 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 468 | 8 | 0 | 5 | 4.9 | COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
2435 | 3563 | 83 | None | -20 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
60149 | 3563 | 83 | None | -20 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
98 | 3563 | 83 | None | -20 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL12713 | 3563 | 83 | None | -20 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
DB06144 | 3563 | 83 | None | -20 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
2136 | 3073 | 30 | None | -120 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
4768 | 3073 | 30 | None | -120 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
7268 | 3073 | 30 | None | -120 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL753 | 3073 | 30 | None | -120 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00925 | 3073 | 30 | None | -120 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2367 | 961 | 86 | None | -6 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 399 | 5 | 1 | 6 | 2.9 | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC | 10.1038/s41467-023-40064-9 | ||
6167 | 961 | 86 | None | -6 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 399 | 5 | 1 | 6 | 2.9 | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC | 10.1038/s41467-023-40064-9 | ||
726 | 961 | 86 | None | -6 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 399 | 5 | 1 | 6 | 2.9 | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL107 | 961 | 86 | None | -6 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 399 | 5 | 1 | 6 | 2.9 | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC | 10.1038/s41467-023-40064-9 | ||
DB01394 | 961 | 86 | None | -6 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 399 | 5 | 1 | 6 | 2.9 | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC | 10.1038/s41467-023-40064-9 | ||
2247 | 504 | 81 | None | -6 | 42 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
249 | 504 | 81 | None | -6 | 42 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
2603 | 504 | 81 | None | -6 | 42 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL296419 | 504 | 81 | None | -6 | 42 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00637 | 504 | 81 | None | -6 | 42 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
3157 | 1458 | 71 | None | -1318 | 22 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
7170 | 1458 | 71 | None | -1318 | 22 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
954 | 1458 | 71 | None | -1318 | 22 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL707 | 1458 | 71 | None | -1318 | 22 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00590 | 1458 | 71 | None | -1318 | 22 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL4743867 | 214010 | 14 | None | -20 | 15 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||||
3062316 | 33545 | 121 | None | -1 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1421 | 33545 | 121 | None | -1 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | ||
2583 | 3747 | 118 | None | -3548 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
592 | 3747 | 118 | None | -3548 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
65999 | 3747 | 118 | None | -3548 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1017 | 3747 | 118 | None | -3548 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00966 | 3747 | 118 | None | -3548 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
103 | 4122 | 61 | None | -6 | 22 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
2875 | 4122 | 61 | None | -6 | 22 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
5736 | 4122 | 61 | None | -6 | 22 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL285802 | 4122 | 61 | None | -6 | 22 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
DB09225 | 4122 | 61 | None | -6 | 22 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
129211 | 3722 | 78 | None | -14125 | 14 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
2562 | 3722 | 78 | None | -14125 | 14 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
488 | 3722 | 78 | None | -14125 | 14 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL836 | 3722 | 78 | None | -14125 | 14 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
DB00706 | 3722 | 78 | None | -14125 | 14 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
16363 | 593 | 53 | None | -1258 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
312 | 593 | 53 | None | -1258 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
9215 | 593 | 53 | None | -1258 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL297302 | 593 | 53 | None | -1258 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB12867 | 593 | 53 | None | -1258 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
92727 | 204529 | 77 | None | -1 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 628 | 15 | 4 | 5 | 4.3 | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL729 | 204529 | 77 | None | -1 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 628 | 15 | 4 | 5 | 4.3 | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O | 10.1038/s41467-023-40064-9 | ||
11504295 | 2902 | 47 | None | -50118 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
4814 | 2902 | 47 | None | -50118 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
7543 | 2902 | 47 | None | -50118 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL605846 | 2902 | 47 | None | -50118 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
DB09080 | 2902 | 47 | None | -50118 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
2782 | 31970 | 67 | None | -199 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1407943 | 31970 | 67 | None | -199 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3216363 | 31970 | 67 | None | -199 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | 10.1038/s41467-023-40064-9 | ||
1353 | 1898 | 93 | None | -831 | 39 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
3559 | 1898 | 93 | None | -831 | 39 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
86 | 1898 | 93 | None | -831 | 39 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL54 | 1898 | 93 | None | -831 | 39 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
DB00502 | 1898 | 93 | None | -831 | 39 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
2771 | 194994 | 74 | None | -5 | 16 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200781 | 194994 | 74 | None | -5 | 16 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL549 | 194994 | 74 | None | -5 | 16 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
1816 | 2523 | 102 | None | -1047 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
4205 | 2523 | 102 | None | -1047 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
7241 | 2523 | 102 | None | -1047 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL654 | 2523 | 102 | None | -1047 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
DB00370 | 2523 | 102 | None | -1047 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
4485 | 69350 | 118 | None | -42 | 11 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | ||
CHEMBL193 | 69350 | 118 | None | -42 | 11 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | ||
4567 | 9916 | 34 | None | -41 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL114655 | 9916 | 34 | None | -41 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
179 | 399 | 115 | None | -102 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1038/s41467-023-40064-9 | ||
2159 | 399 | 115 | None | -102 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1038/s41467-023-40064-9 | ||
963 | 399 | 115 | None | -102 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1038/s41467-023-40064-9 | ||
CHEMBL243712 | 399 | 115 | None | -102 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1038/s41467-023-40064-9 | ||
DB06288 | 399 | 115 | None | -102 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1038/s41467-023-40064-9 | ||
213046 | 2370 | 59 | None | -4 | 17 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
4168 | 2370 | 59 | None | -4 | 17 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
7461 | 2370 | 59 | None | -4 | 17 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1237021 | 2370 | 59 | None | -4 | 17 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
DB08815 | 2370 | 59 | None | -4 | 17 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
1971 | 2846 | 38 | None | -165 | 32 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2404 | 2846 | 38 | None | -165 | 32 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
4543 | 2846 | 38 | None | -165 | 32 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL445 | 2846 | 38 | None | -165 | 32 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00540 | 2846 | 38 | None | -165 | 32 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2448 | 99295 | 70 | None | -331 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL28218 | 99295 | 70 | None | -331 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
1830 | 2572 | 44 | None | -8 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
207 | 2572 | 44 | None | -8 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
23897 | 2572 | 44 | None | -8 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL460 | 2572 | 44 | None | -8 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
DB01618 | 2572 | 44 | None | -8 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
2477 | 742 | 59 | None | -104 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1038/s41467-023-40064-9 | ||
36 | 742 | 59 | None | -104 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1038/s41467-023-40064-9 | ||
437 | 742 | 59 | None | -104 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL49 | 742 | 59 | None | -104 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1038/s41467-023-40064-9 | ||
DB00490 | 742 | 59 | None | -104 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1038/s41467-023-40064-9 | ||
5906 | 14463 | 23 | None | 1 | 4 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201319 | 14463 | 23 | None | 1 | 4 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
54682461 | 84657 | 62 | None | -1 | 12 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL222559 | 84657 | 62 | None | -1 | 12 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | ||
68617 | 205504 | 62 | None | -14 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1709 | 205504 | 62 | None | -14 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL809 | 205504 | 62 | None | -14 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
20628 | 96519 | 28 | None | 1 | 13 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL26291 | 96519 | 28 | None | 1 | 13 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | ||
209 | 3035 | 97 | None | -338 | 14 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
2113 | 3035 | 97 | None | -338 | 14 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
4748 | 3035 | 97 | None | -338 | 14 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL567 | 3035 | 97 | None | -338 | 14 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
DB00850 | 3035 | 97 | None | -338 | 14 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
2540 | 4369 | 111 | None | -1122 | 28 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1014 | 4369 | 111 | None | -1122 | 28 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
1212 | 1649 | 50 | None | -60 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
204 | 1649 | 50 | None | -60 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
3372 | 1649 | 50 | None | -60 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
CHEMBL726 | 1649 | 50 | None | -60 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
DB00623 | 1649 | 50 | None | -60 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
71496458 | 115538 | 87 | None | -2 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL3353410 | 115538 | 87 | None | -2 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | ||
4418 | 34192 | 85 | None | -3 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL142635 | 34192 | 85 | None | -3 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
2880 | 97980 | 49 | None | -8 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL27289 | 97980 | 49 | None | -8 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
4178 | 195780 | 63 | None | 3 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL558 | 195780 | 63 | None | 3 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | 10.1038/s41467-023-40064-9 | ||
1234 | 189197 | 56 | None | 9 | 10 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL1256940 | 189197 | 56 | None | 9 | 10 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL51149 | 189197 | 56 | None | 9 | 10 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
6018 | 11033 | 96 | None | 2 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL117785 | 11033 | 96 | None | 2 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2 | 10.1038/s41467-023-40064-9 | ||
118422671 | 2737 | 65 | None | -2884 | 23 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
1887 | 2737 | 65 | None | -2884 | 23 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
71301 | 2737 | 65 | None | -2884 | 23 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
7246 | 2737 | 65 | None | -2884 | 23 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL434394 | 2737 | 65 | None | -2884 | 23 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
DB04861 | 2737 | 65 | None | -2884 | 23 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
11980903 | 14460 | 19 | None | -239 | 25 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
22526 | 14460 | 19 | None | -239 | 25 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
5281035 | 14460 | 19 | None | -239 | 25 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201303 | 14460 | 19 | None | -239 | 25 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
138106885 | 166887 | 75 | None | -4 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | 10.1038/s41467-023-40064-9 | ||
36314 | 166887 | 75 | None | -4 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL428647 | 166887 | 75 | None | -4 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | 10.1038/s41467-023-40064-9 | ||
5282175 | 14400 | 36 | None | 6 | 4 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200661 | 14400 | 36 | None | 6 | 4 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O | 10.1038/s41467-023-40064-9 | ||
1530 | 2169 | 50 | None | -3 | 25 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
3827 | 2169 | 50 | None | -3 | 25 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
7206 | 2169 | 50 | None | -3 | 25 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL534 | 2169 | 50 | None | -3 | 25 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
DB00920 | 2169 | 50 | None | -3 | 25 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
5311507 | 194792 | 41 | None | -10 | 12 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 400 | 5 | 1 | 4 | 4.2 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL53904 | 194792 | 41 | None | -10 | 12 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 400 | 5 | 1 | 4 | 4.2 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
216416 | 111554 | 48 | None | -19 | 23 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL328190 | 111554 | 48 | None | -19 | 23 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
65700 | 78231 | 28 | None | -2 | 8 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 3.3 | CNC1Cc2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2106919 | 78231 | 28 | None | -2 | 8 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 3.3 | CNC1Cc2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
2291 | 3162 | 58 | None | -17 | 13 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
2561 | 3162 | 58 | None | -17 | 13 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
4932 | 3162 | 58 | None | -17 | 13 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL631 | 3162 | 58 | None | -17 | 13 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
DB01182 | 3162 | 58 | None | -17 | 13 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
5472 | 205795 | 75 | None | -16 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1717 | 205795 | 75 | None | -16 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL833 | 205795 | 75 | None | -16 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
2780 | 110502 | 36 | None | -9 | 11 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 373 | 5 | 2 | 4 | 3.3 | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL325109 | 110502 | 36 | None | -9 | 11 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 373 | 5 | 2 | 4 | 3.3 | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
43815 | 186896 | 64 | None | -125 | 20 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1708 | 186896 | 64 | None | -125 | 20 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL490 | 186896 | 64 | None | -125 | 20 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2020.127511 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2020.127511 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2020.127511 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm801354e | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm801354e | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm801354e | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm801354e | ||
4376990 | 192985 | 5 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5207529 | 192985 | 5 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222754 | 192985 | 5 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
4376990 | 192985 | 5 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5207529 | 192985 | 5 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222754 | 192985 | 5 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/ml200206z | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/ml200206z | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/ml200206z | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/ml200206z | ||
5 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm5019274 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm5019274 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm5019274 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm5019274 | ||
439280 | 119993 | 107 | None | -25 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
6971044 | 119993 | 107 | None | -25 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL350221 | 119993 | 107 | None | -25 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
439280 | 119993 | 107 | None | -25 | 9 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
6971044 | 119993 | 107 | None | -25 | 9 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL350221 | 119993 | 107 | None | -25 | 9 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
168293874 | 192155 | 0 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5204071 | 192155 | 0 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
168293874 | 192155 | 0 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5204071 | 192155 | 0 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
166 | 3334 | 18 | None | 2 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1021/jm0709034 | ||
3045227 | 3334 | 18 | None | 2 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1021/jm0709034 | ||
CHEMBL76781 | 3334 | 18 | None | 2 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1021/jm0709034 | ||
4407909 | 192842 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5182943 | 192842 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221893 | 192842 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
44315993 | 172853 | 0 | None | 2 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.1 | CSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL451543 | 172853 | 0 | None | 2 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.1 | CSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
4407909 | 192842 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5182943 | 192842 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221893 | 192842 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
16115269 | 138104 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
CHEMBL376676 | 138104 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
9881885 | 64079 | 0 | None | -19 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL180815 | 64079 | 0 | None | -19 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
17954204 | 63908 | 23 | None | -81 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 181 | 0 | 1 | 1 | 2.0 | Clc1ccc2c(c1)CCNCC2 | 10.1021/jm0709034 | ||
CHEMBL180668 | 63908 | 23 | None | -81 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 181 | 0 | 1 | 1 | 2.0 | Clc1ccc2c(c1)CCNCC2 | 10.1021/jm0709034 | ||
10465263 | 64302 | 63 | None | -89 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
CHEMBL181172 | 64302 | 63 | None | -89 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
11938 | 2396 | 7 | None | -75 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
146192952 | 2396 | 7 | None | -75 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
CHEMBL4468760 | 2396 | 7 | None | -75 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
59312249 | 111645 | 0 | None | -8 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 282 | 3 | 2 | 4 | 2.4 | CNc1nc(C(C)c2ccccc2)nc2c1CCNCC2 | 10.1021/jm5003292 | ||
CHEMBL3286565 | 111645 | 0 | None | -8 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 282 | 3 | 2 | 4 | 2.4 | CNc1nc(C(C)c2ccccc2)nc2c1CCNCC2 | 10.1021/jm5003292 | ||
122442324 | 138325 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770174 | 138325 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771386 | 138325 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
10379910 | 63271 | 0 | None | -6 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 297 | 2 | 1 | 2 | 3.3 | COc1cc2c(cc1Br)C(C(C)C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL179329 | 63271 | 0 | None | -6 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 297 | 2 | 1 | 2 | 3.3 | COc1cc2c(cc1Br)C(C(C)C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
17954204 | 63908 | 23 | None | -81 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 181 | 0 | 1 | 1 | 2.0 | Clc1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL180668 | 63908 | 23 | None | -81 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 181 | 0 | 1 | 1 | 2.0 | Clc1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
122442324 | 138325 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770174 | 138325 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771386 | 138325 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
11493484 | 89041 | 0 | None | -23 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337106 | 89041 | 0 | None | -23 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365079 | 89041 | 0 | None | -23 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
46230097 | 199343 | 0 | None | -6 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 217 | 0 | 2 | 3 | 0.6 | O=C1NC2CCNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590816 | 199343 | 0 | None | -6 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 217 | 0 | 2 | 3 | 0.6 | O=C1NC2CCNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
122442251 | 138335 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770225 | 138335 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771396 | 138335 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
4312735 | 192850 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5183950 | 192850 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221924 | 192850 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
4312735 | 192850 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5183950 | 192850 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221924 | 192850 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
122442251 | 138335 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770225 | 138335 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771396 | 138335 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44573155 | 189135 | 0 | None | 6 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 280 | 4 | 2 | 3 | 1.1 | O=S(=O)(NCC1CC1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL511044 | 189135 | 0 | None | 6 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 280 | 4 | 2 | 3 | 1.1 | O=S(=O)(NCC1CC1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
168282202 | 192860 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5185430 | 192860 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221991 | 192860 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
168282202 | 192860 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5185430 | 192860 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221991 | 192860 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
44412404 | 77739 | 6 | None | 2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 206 | 1 | 1 | 2 | 1.6 | Fc1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
CHEMBL209106 | 77739 | 6 | None | 2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 206 | 1 | 1 | 2 | 1.6 | Fc1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
70693928 | 74456 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 253 | 5 | 1 | 2 | 3.3 | NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1 | 10.1021/ml200206z | ||
CHEMBL2022192 | 74456 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 253 | 5 | 1 | 2 | 3.3 | NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1 | 10.1021/ml200206z | ||
CHEMBL2028036 | 74456 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 253 | 5 | 1 | 2 | 3.3 | NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1 | 10.1021/ml200206z | ||
162652937 | 183638 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4751981 | 183638 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802812 | 183638 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2009.07.063 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2009.07.063 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2009.07.063 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2009.07.063 | ||
168 | 3951 | 15 | None | 3 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
6604042 | 3951 | 15 | None | 3 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL309760 | 3951 | 15 | None | 3 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
157 | 2056 | 7 | None | 2 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
9840090 | 2056 | 7 | None | 2 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
CHEMBL134519 | 2056 | 7 | None | 2 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
157 | 2056 | 7 | None | 2 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1016/j.bmcl.2007.03.073 | ||
9840090 | 2056 | 7 | None | 2 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1016/j.bmcl.2007.03.073 | ||
CHEMBL134519 | 2056 | 7 | None | 2 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1016/j.bmcl.2007.03.073 | ||
10465263 | 64302 | 63 | None | -89 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL181172 | 64302 | 63 | None | -89 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
162652937 | 183638 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4751981 | 183638 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802812 | 183638 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
134265627 | 163989 | 0 | None | -602 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.5 | Fc1cccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)c1 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4208452 | 163989 | 0 | None | -602 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.5 | Fc1cccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)c1 | 10.1021/acsmedchemlett.8b00328 | ||
53324327 | 56820 | 0 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1cc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)ccn1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643857 | 56820 | 0 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1cc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)ccn1 | 10.1016/j.bmcl.2010.11.089 | ||
44572176 | 12528 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 239 | 2 | 1 | 1 | 2.8 | Cc1ccc([C@H]2C[C@@H]2CN)c(Br)c1 | 10.1021/jm801354e | ||
CHEMBL1186735 | 12528 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 239 | 2 | 1 | 1 | 2.8 | Cc1ccc([C@H]2C[C@@H]2CN)c(Br)c1 | 10.1021/jm801354e | ||
CHEMBL475641 | 12528 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 239 | 2 | 1 | 1 | 2.8 | Cc1ccc([C@H]2C[C@@H]2CN)c(Br)c1 | 10.1021/jm801354e | ||
44572207 | 12670 | 0 | None | -8 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 213 | 2 | 1 | 1 | 2.9 | Cc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F | 10.1021/jm801354e | ||
CHEMBL1187556 | 12670 | 0 | None | -8 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 213 | 2 | 1 | 1 | 2.9 | Cc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F | 10.1021/jm801354e | ||
CHEMBL508680 | 12670 | 0 | None | -8 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 213 | 2 | 1 | 1 | 2.9 | Cc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F | 10.1021/jm801354e | ||
11492162 | 72024 | 3 | None | -11 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 206 | 3 | 1 | 1 | 2.4 | CN(C)CCc1c[nH]c2cccc(F)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL197646 | 72024 | 3 | None | -11 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 206 | 3 | 1 | 1 | 2.4 | CN(C)CCc1c[nH]c2cccc(F)c12 | 10.1016/j.bmcl.2005.06.104 | ||
53317924 | 56821 | 0 | None | -6 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 406 | 4 | 1 | 7 | 1.7 | CC(=O)N(C)c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643858 | 56821 | 0 | None | -6 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 406 | 4 | 1 | 7 | 1.7 | CC(=O)N(C)c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
44572180 | 12530 | 1 | None | 2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1ccc([C@H]2C[C@@H]2CN)cc1C | 10.1021/jm801354e | ||
CHEMBL1186737 | 12530 | 1 | None | 2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1ccc([C@H]2C[C@@H]2CN)cc1C | 10.1021/jm801354e | ||
CHEMBL475643 | 12530 | 1 | None | 2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1ccc([C@H]2C[C@@H]2CN)cc1C | 10.1021/jm801354e | ||
11151653 | 91072 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397896 | 91072 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
54587668 | 61429 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL1770378 | 61429 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
1355 | 1998 | 88 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.063 | ||
142 | 1998 | 88 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.063 | ||
CHEMBL478 | 1998 | 88 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.063 | ||
DB12110 | 1998 | 88 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.063 | ||
44573156 | 187273 | 0 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 0.6 | CN(C)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL492949 | 187273 | 0 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 0.6 | CN(C)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
1355 | 1998 | 88 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.136 | ||
142 | 1998 | 88 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.136 | ||
CHEMBL478 | 1998 | 88 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.136 | ||
DB12110 | 1998 | 88 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.136 | ||
168285159 | 192890 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5196522 | 192890 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222172 | 192890 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
23652278 | 62601 | 17 | None | -83 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | C[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
CHEMBL178365 | 62601 | 17 | None | -83 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | C[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
11608308 | 64279 | 4 | None | -407 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@@H]1CNCCc2ccc(Cl)c(Cl)c21 | 10.1021/jm0709034 | ||
CHEMBL181076 | 64279 | 4 | None | -407 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@@H]1CNCCc2ccc(Cl)c(Cl)c21 | 10.1021/jm0709034 | ||
162658803 | 183668 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4759878 | 183668 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803107 | 183668 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
168285159 | 192890 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5196522 | 192890 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222172 | 192890 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
162658803 | 183668 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4759878 | 183668 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803107 | 183668 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
134265732 | 163783 | 0 | None | -1000 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 285 | 2 | 1 | 3 | 2.3 | FC(F)(F)CCc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4206126 | 163783 | 0 | None | -1000 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 285 | 2 | 1 | 3 | 2.3 | FC(F)(F)CCc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
134265665 | 164775 | 0 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 231 | 2 | 1 | 3 | 1.8 | CCCc1cncc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4218374 | 164775 | 0 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 231 | 2 | 1 | 3 | 1.8 | CCCc1cncc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
44572751 | 12467 | 1 | None | -16 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
CHEMBL1186509 | 12467 | 1 | None | -16 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
CHEMBL467736 | 12467 | 1 | None | -16 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
53321948 | 56774 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1cccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643677 | 56774 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1cccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
189 | 3466 | 39 | None | -1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jmedchem.0c00424 | ||
5163 | 3466 | 39 | None | -1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jmedchem.0c00424 | ||
CHEMBL297784 | 3466 | 39 | None | -1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jmedchem.0c00424 | ||
44431699 | 88260 | 0 | None | 5 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 315 | 4 | 1 | 6 | 1.7 | Cc1noc(Cc2c3c(c(C[C@@H](C)N)c4c2OCC4)OCC3)n1 | 10.1016/j.bmcl.2007.03.073 | ||
CHEMBL234837 | 88260 | 0 | None | 5 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 315 | 4 | 1 | 6 | 1.7 | Cc1noc(Cc2c3c(c(C[C@@H](C)N)c4c2OCC4)OCC3)n1 | 10.1016/j.bmcl.2007.03.073 | ||
10015414 | 63455 | 0 | None | -32 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 259 | 1 | 1 | 2 | 3.0 | COc1cc2c(cc1C(F)(F)F)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL179915 | 63455 | 0 | None | -32 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 259 | 1 | 1 | 2 | 3.0 | COc1cc2c(cc1C(F)(F)F)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
16115271 | 79079 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 298 | 1 | 1 | 2 | 2.8 | CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
CHEMBL2113264 | 79079 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 298 | 1 | 1 | 2 | 2.8 | CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
44572168 | 12452 | 1 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl | 10.1021/jm801354e | ||
CHEMBL1186458 | 12452 | 1 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl | 10.1021/jm801354e | ||
CHEMBL464475 | 12452 | 1 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl | 10.1021/jm801354e | ||
10036629 | 64607 | 0 | None | -9 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL181787 | 64607 | 0 | None | -9 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
23652278 | 62601 | 17 | None | -83 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | C[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL178365 | 62601 | 17 | None | -83 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | C[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
25084025 | 12669 | 1 | None | -10 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1cccc(Br)c1 | 10.1021/jm801354e | ||
CHEMBL1187522 | 12669 | 1 | None | -10 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1cccc(Br)c1 | 10.1021/jm801354e | ||
CHEMBL506727 | 12669 | 1 | None | -10 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1cccc(Br)c1 | 10.1021/jm801354e | ||
45484687 | 198441 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 339 | 3 | 1 | 5 | 1.9 | O=c1cc2c(nn1Cc1ccccc1OC(F)(F)F)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
CHEMBL577410 | 198441 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 339 | 3 | 1 | 5 | 1.9 | O=c1cc2c(nn1Cc1ccccc1OC(F)(F)F)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
53323196 | 56819 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1cncc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643856 | 56819 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1cncc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
118736623 | 118970 | 7 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 267 | 3 | 2 | 3 | 2.4 | CNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
CHEMBL3425755 | 118970 | 7 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 267 | 3 | 2 | 3 | 2.4 | CNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
118733808 | 120630 | 0 | None | -1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
CHEMBL3416056 | 120630 | 0 | None | -1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
CHEMBL3546908 | 120630 | 0 | None | -1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
44573231 | 187270 | 0 | None | 5 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL492911 | 187270 | 0 | None | 5 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
216 | 2842 | 32 | None | 1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 10.1021/jm0709034 | ||
9815618 | 2842 | 32 | None | 1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 10.1021/jm0709034 | ||
CHEMBL253811 | 2842 | 32 | None | 1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 10.1021/jm0709034 | ||
162653458 | 183642 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4753812 | 183642 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802839 | 183642 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
10331841 | 169180 | 6 | None | -158 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL440752 | 169180 | 6 | None | -158 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
44412389 | 78067 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 272 | 1 | 1 | 4 | 1.7 | C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2006.03.007 | ||
CHEMBL210215 | 78067 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 272 | 1 | 1 | 4 | 1.7 | C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2006.03.007 | ||
162653458 | 183642 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4753812 | 183642 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802839 | 183642 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
11447552 | 62498 | 4 | None | -239 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2ccc(Cl)c(Cl)c21 | 10.1021/jm0709034 | ||
CHEMBL178231 | 62498 | 4 | None | -239 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2ccc(Cl)c(Cl)c21 | 10.1021/jm0709034 | ||
54585653 | 61435 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 307 | 2 | 1 | 3 | 2.8 | FC(F)(F)c1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL1770385 | 61435 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 307 | 2 | 1 | 3 | 2.8 | FC(F)(F)c1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
11427139 | 84658 | 0 | None | -38 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 282 | 1 | 1 | 2 | 2.4 | C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL222566 | 84658 | 0 | None | -38 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 282 | 1 | 1 | 2 | 2.4 | C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
53325937 | 56775 | 0 | None | -53 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643678 | 56775 | 0 | None | -53 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
25070581 | 61431 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL1770380 | 61431 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
134265616 | 164387 | 0 | None | -1548 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 2.1 | c1cc(CC2CCC2)c2c(n1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4213447 | 164387 | 0 | None | -1548 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 2.1 | c1cc(CC2CCC2)c2c(n1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
122442286 | 138326 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769987 | 138326 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771387 | 138326 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
118733798 | 120623 | 0 | None | -12 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416051 | 120623 | 0 | None | -12 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546894 | 120623 | 0 | None | -12 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
44573220 | 187427 | 0 | None | 4 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 294 | 4 | 1 | 3 | 1.4 | CN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL493951 | 187427 | 0 | None | 4 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 294 | 4 | 1 | 3 | 1.4 | CN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
162658689 | 183666 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4759181 | 183666 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803103 | 183666 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
122442272 | 138323 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769968 | 138323 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771384 | 138323 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44572371 | 12495 | 0 | None | -5 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1cccc(C#CCCCCO)c1 | 10.1021/jm801354e | ||
CHEMBL1186608 | 12495 | 0 | None | -5 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1cccc(C#CCCCCO)c1 | 10.1021/jm801354e | ||
CHEMBL472678 | 12495 | 0 | None | -5 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1cccc(C#CCCCCO)c1 | 10.1021/jm801354e | ||
162658689 | 183666 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4759181 | 183666 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803103 | 183666 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
122442272 | 138323 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769968 | 138323 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771384 | 138323 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
16115652 | 83462 | 0 | None | -15 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 286 | 1 | 1 | 3 | 1.8 | COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL220211 | 83462 | 0 | None | -15 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 286 | 1 | 1 | 3 | 1.8 | COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
54580776 | 61432 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL1770381 | 61432 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
118736624 | 118971 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 281 | 4 | 2 | 3 | 2.8 | CCNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
CHEMBL3425756 | 118971 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 281 | 4 | 2 | 3 | 2.8 | CCNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
44573229 | 172652 | 0 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1ccc2c(c1)CCNCC2)c1ccccc1F | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL449999 | 172652 | 0 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1ccc2c(c1)CCNCC2)c1ccccc1F | 10.1016/j.bmcl.2009.02.071 | ||
42601405 | 192630 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 287 | 2 | 1 | 3 | 2.2 | O=S(=O)(c1ccccc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL521805 | 192630 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 287 | 2 | 1 | 3 | 2.2 | O=S(=O)(c1ccccc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
11221167 | 84651 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL222514 | 84651 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
162657053 | 183657 | 0 | None | -20 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4757214 | 183657 | 0 | None | -20 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803017 | 183657 | 0 | None | -20 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
10401602 | 123043 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.1 | CCOc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL360968 | 123043 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.1 | CCOc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
11447552 | 62498 | 4 | None | -239 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL178231 | 62498 | 4 | None | -239 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2004.12.080 | ||
25070907 | 61427 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL1770376 | 61427 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
44572369 | 12426 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 171 | 2 | 1 | 1 | 1.7 | C#Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
CHEMBL1186108 | 12426 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 171 | 2 | 1 | 1 | 1.7 | C#Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
CHEMBL450178 | 12426 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 171 | 2 | 1 | 1 | 1.7 | C#Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
46228438 | 199962 | 0 | None | -1862 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1OC1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL595195 | 199962 | 0 | None | -1862 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1OC1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
45485742 | 197800 | 0 | None | -18 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 318 | 5 | 1 | 5 | 2.2 | Clc1ccccc1CCOc1cncc(N2CCNCC2)n1 | 10.1016/j.bmcl.2009.07.136 | ||
CHEMBL572228 | 197800 | 0 | None | -18 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 318 | 5 | 1 | 5 | 2.2 | Clc1ccccc1CCOc1cncc(N2CCNCC2)n1 | 10.1016/j.bmcl.2009.07.136 | ||
44412405 | 77752 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 1 | 1 | 1 | 3.4 | FC(F)(F)c1cccc([C@H]2CC[C@H]3CNC[C@@H]23)c1 | 10.1016/j.bmcl.2006.03.007 | ||
CHEMBL209155 | 77752 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 1 | 1 | 1 | 3.4 | FC(F)(F)c1cccc([C@H]2CC[C@H]3CNC[C@@H]23)c1 | 10.1016/j.bmcl.2006.03.007 | ||
11777150 | 62575 | 0 | None | -63 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 0 | 2 | 2 | 2.4 | CC1CNCCc2cc(O)c(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL178313 | 62575 | 0 | None | -63 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 0 | 2 | 2 | 2.4 | CC1CNCCc2cc(O)c(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
11414184 | 83469 | 0 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)C2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL220274 | 83469 | 0 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)C2CNCCN12 | 10.1021/jm0612968 | ||
122442324 | 138325 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770174 | 138325 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771386 | 138325 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442324 | 138325 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770174 | 138325 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771386 | 138325 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44573216 | 187314 | 0 | None | 4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 268 | 4 | 2 | 3 | 1.1 | CCCNS(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL493151 | 187314 | 0 | None | 4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 268 | 4 | 2 | 3 | 1.1 | CCCNS(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
44572759 | 12430 | 1 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
CHEMBL1186135 | 12430 | 1 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
CHEMBL451368 | 12430 | 1 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
24773650 | 154673 | 2 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)CCNCC2C | 10.1021/jm0709034 | ||
CHEMBL399750 | 154673 | 2 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)CCNCC2C | 10.1021/jm0709034 | ||
118733818 | 120639 | 0 | None | -181 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416061 | 120639 | 0 | None | -181 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546956 | 120639 | 0 | None | -181 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
168294162 | 192987 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5208129 | 192987 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222770 | 192987 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
10331841 | 169180 | 6 | None | -158 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 239 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Br)cc21 | 10.1021/jm0709034 | ||
CHEMBL440752 | 169180 | 6 | None | -158 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 239 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Br)cc21 | 10.1021/jm0709034 | ||
168294162 | 192987 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5208129 | 192987 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222770 | 192987 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
135453290 | 133581 | 33 | None | 1 | 7 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL371300 | 133581 | 33 | None | 1 | 7 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
166 | 3334 | 18 | None | 2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmc.2007.10.100 | ||
3045227 | 3334 | 18 | None | 2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmc.2007.10.100 | ||
CHEMBL76781 | 3334 | 18 | None | 2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmc.2007.10.100 | ||
36906 | 104853 | 75 | None | 1 | 3 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm050663x | ||
CHEMBL31115 | 104853 | 75 | None | 1 | 3 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm050663x | ||
44572367 | 12511 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1ccccc1C#CCCCCO | 10.1021/jm801354e | ||
CHEMBL1186673 | 12511 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1ccccc1C#CCCCCO | 10.1021/jm801354e | ||
CHEMBL474230 | 12511 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1ccccc1C#CCCCCO | 10.1021/jm801354e | ||
168291130 | 192952 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5201835 | 192952 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222548 | 192952 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
168291130 | 192952 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5201835 | 192952 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222548 | 192952 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
11290492 | 137976 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 218 | 1 | 1 | 3 | 0.8 | COc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
CHEMBL376456 | 137976 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 218 | 1 | 1 | 3 | 0.8 | COc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
11499800 | 89078 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337503 | 89078 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365465 | 89078 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
122442254 | 138320 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770963 | 138320 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771381 | 138320 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442254 | 138320 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770963 | 138320 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771381 | 138320 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44572810 | 12623 | 2 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
CHEMBL1187196 | 12623 | 2 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
CHEMBL493130 | 12623 | 2 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
150 | 2492 | 21 | None | -2 | 17 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
1764 | 2492 | 21 | None | -2 | 17 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
8226 | 2492 | 21 | None | -2 | 17 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
CHEMBL1201356 | 2492 | 21 | None | -2 | 17 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
DB00353 | 2492 | 21 | None | -2 | 17 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
134265663 | 163655 | 0 | None | -19 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 243 | 1 | 1 | 3 | 2.1 | c1cc(C2CCC2)c2c(n1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4204710 | 163655 | 0 | None | -19 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 243 | 1 | 1 | 3 | 2.1 | c1cc(C2CCC2)c2c(n1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
53317923 | 56816 | 0 | None | -5 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1cccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643853 | 56816 | 0 | None | -5 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1cccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
53325936 | 56772 | 0 | None | -12 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 335 | 3 | 1 | 6 | 1.7 | c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643675 | 56772 | 0 | None | -12 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 335 | 3 | 1 | 6 | 1.7 | c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
122442293 | 138317 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770599 | 138317 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771378 | 138317 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
122442293 | 138317 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770599 | 138317 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771378 | 138317 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
16115381 | 83414 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
CHEMBL219837 | 83414 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
44572166 | 12428 | 0 | None | -7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
CHEMBL1186133 | 12428 | 0 | None | -7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
CHEMBL451232 | 12428 | 0 | None | -7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
118736626 | 118972 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 307 | 5 | 2 | 3 | 3.2 | c1ccc(Cc2cc3c(c(NCC4CC4)n2)CCNCC3)cc1 | 10.1021/ml500507v | ||
CHEMBL3425758 | 118972 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 307 | 5 | 2 | 3 | 3.2 | c1ccc(Cc2cc3c(c(NCC4CC4)n2)CCNCC3)cc1 | 10.1021/ml500507v | ||
18735305 | 204910 | 0 | None | 2 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 320 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2cc(F)c(I)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL76301 | 204910 | 0 | None | 2 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 320 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2cc(F)c(I)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
54583742 | 61426 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL1770375 | 61426 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
44389645 | 64151 | 0 | None | -72 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL180867 | 64151 | 0 | None | -72 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
118733790 | 120645 | 0 | None | -36 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416047 | 120645 | 0 | None | -36 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546973 | 120645 | 0 | None | -36 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
44572753 | 12671 | 3 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@@H]1C[C@H]1c1ccccc1Br | 10.1021/jm801354e | ||
CHEMBL1187565 | 12671 | 3 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@@H]1C[C@H]1c1ccccc1Br | 10.1021/jm801354e | ||
CHEMBL509418 | 12671 | 3 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@@H]1C[C@H]1c1ccccc1Br | 10.1021/jm801354e | ||
53321947 | 56768 | 0 | None | -2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 257 | 1 | 1 | 5 | 1.0 | c1cc2nc3c(c(N4CCCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643671 | 56768 | 0 | None | -2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 257 | 1 | 1 | 5 | 1.0 | c1cc2nc3c(c(N4CCCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
44431701 | 88115 | 0 | None | 3 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 311 | 4 | 1 | 6 | 3.4 | Cc1noc(Cc2c3ccoc3c(C[C@@H](C)N)c3ccoc23)n1 | 10.1016/j.bmcl.2007.03.073 | ||
CHEMBL234682 | 88115 | 0 | None | 3 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 311 | 4 | 1 | 6 | 3.4 | Cc1noc(Cc2c3ccoc3c(C[C@@H](C)N)c3ccoc23)n1 | 10.1016/j.bmcl.2007.03.073 | ||
44409290 | 74622 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 273 | 4 | 1 | 4 | 1.7 | C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL203013 | 74622 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 273 | 4 | 1 | 4 | 1.7 | C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
10017556 | 161854 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 297 | 2 | 1 | 2 | 3.5 | CC(C)Oc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL415029 | 161854 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 297 | 2 | 1 | 2 | 3.5 | CC(C)Oc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
118733760 | 120612 | 1 | None | -3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416032 | 120612 | 1 | None | -3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546869 | 120612 | 1 | None | -3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
11630623 | 89070 | 0 | None | -213 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337499 | 89070 | 0 | None | -213 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365399 | 89070 | 0 | None | -213 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
58911653 | 91087 | 0 | None | -25 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 244 | 1 | 1 | 2 | 1.5 | CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397911 | 91087 | 0 | None | -25 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 244 | 1 | 1 | 2 | 1.5 | CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
168291896 | 192961 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5201903 | 192961 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222595 | 192961 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
145 | 140 | 49 | None | -134 | 11 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
1832 | 140 | 49 | None | -134 | 11 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
CHEMBL7257 | 140 | 49 | None | -134 | 11 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
DB14010 | 140 | 49 | None | -134 | 11 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
25070911 | 111644 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 324 | 3 | 1 | 5 | 1.6 | c1ccc(Cc2nc3c(c(N4CCOCC4)n2)CCNCC3)cc1 | 10.1021/jm5003292 | ||
CHEMBL3286564 | 111644 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 324 | 3 | 1 | 5 | 1.6 | c1ccc(Cc2nc3c(c(N4CCOCC4)n2)CCNCC3)cc1 | 10.1021/jm5003292 | ||
168291564 | 192959 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5201470 | 192959 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222574 | 192959 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
168291896 | 192961 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5201903 | 192961 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222595 | 192961 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
122442250 | 138319 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770689 | 138319 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771380 | 138319 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm0709034 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm0709034 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm0709034 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm0709034 | ||
168291564 | 192959 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5201470 | 192959 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222574 | 192959 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
122442250 | 138319 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770689 | 138319 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771380 | 138319 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
24773816 | 94827 | 0 | None | -31 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@@H]1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
CHEMBL253805 | 94827 | 0 | None | -31 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@@H]1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
24773814 | 94830 | 1 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 209 | 1 | 1 | 1 | 3.0 | CC[C@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
CHEMBL253809 | 94830 | 1 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 209 | 1 | 1 | 1 | 3.0 | CC[C@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
11264345 | 130373 | 5 | None | -120 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Cl)c(F)c21 | 10.1021/jm0709034 | ||
CHEMBL368016 | 130373 | 5 | None | -120 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Cl)c(F)c21 | 10.1021/jm0709034 | ||
122442300 | 138324 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769421 | 138324 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771385 | 138324 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
122442300 | 138324 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769421 | 138324 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771385 | 138324 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
146025684 | 183611 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4743977 | 183611 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802486 | 183611 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
162652983 | 183639 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4752412 | 183639 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802814 | 183639 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
146025684 | 183611 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4743977 | 183611 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802486 | 183611 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
162652983 | 183639 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4752412 | 183639 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802814 | 183639 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
45484673 | 198935 | 0 | None | -8 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1ccc(Cl)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
CHEMBL585012 | 198935 | 0 | None | -8 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1ccc(Cl)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
11595191 | 89031 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337488 | 89031 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2364960 | 89031 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
162658153 | 183661 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4758641 | 183661 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803076 | 183661 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
162658153 | 183661 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4758641 | 183661 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803076 | 183661 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
118736627 | 118973 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 295 | 5 | 2 | 3 | 3.2 | CCCNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
CHEMBL3425759 | 118973 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 295 | 5 | 2 | 3 | 3.2 | CCCNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
118736631 | 118976 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 238 | 2 | 1 | 2 | 2.4 | c1ccc(Cc2cc3c(cn2)CCNCC3)cc1 | 10.1021/ml500507v | ||
CHEMBL3425763 | 118976 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 238 | 2 | 1 | 2 | 2.4 | c1ccc(Cc2cc3c(cn2)CCNCC3)cc1 | 10.1021/ml500507v | ||
122442270 | 138321 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770753 | 138321 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771382 | 138321 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442270 | 138321 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770753 | 138321 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771382 | 138321 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
11952353 | 199837 | 0 | None | -1905 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL594469 | 199837 | 0 | None | -1905 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1 | 10.1016/j.bmcl.2009.10.112 | ||
11171955 | 91064 | 0 | None | -4 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.2 | C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397888 | 91064 | 0 | None | -4 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.2 | C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12 | 10.1016/j.bmcl.2013.04.061 | ||
44573002 | 12654 | 1 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Br)cc1 | 10.1021/jm801354e | ||
CHEMBL1187408 | 12654 | 1 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Br)cc1 | 10.1021/jm801354e | ||
CHEMBL501854 | 12654 | 1 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Br)cc1 | 10.1021/jm801354e | ||
16115511 | 84808 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
CHEMBL223466 | 84808 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
162643473 | 183591 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4777303 | 183591 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802306 | 183591 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
162643473 | 183591 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4777303 | 183591 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802306 | 183591 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
11300712 | 141661 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL385577 | 141661 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
44573018 | 12612 | 1 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)c(F)c1 | 10.1021/jm801354e | ||
CHEMBL1187169 | 12612 | 1 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)c(F)c1 | 10.1021/jm801354e | ||
CHEMBL492306 | 12612 | 1 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)c(F)c1 | 10.1021/jm801354e | ||
24826869 | 91073 | 0 | None | -7 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397897 | 91073 | 0 | None | -7 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
16115654 | 136949 | 0 | None | -46 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.1 | Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL374562 | 136949 | 0 | None | -46 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.1 | Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
53324629 | 56769 | 0 | None | -4 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 271 | 1 | 1 | 5 | 1.4 | c1cc2nc3c(c(N4CCCCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643672 | 56769 | 0 | None | -4 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 271 | 1 | 1 | 5 | 1.4 | c1cc2nc3c(c(N4CCCCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
1355 | 1998 | 88 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
142 | 1998 | 88 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
CHEMBL478 | 1998 | 88 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
DB12110 | 1998 | 88 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
1355 | 1998 | 88 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
142 | 1998 | 88 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL478 | 1998 | 88 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
DB12110 | 1998 | 88 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
46937339 | 74180 | 0 | None | -13 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 235 | 5 | 1 | 2 | 2.7 | NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 | 10.1021/ml200206z | ||
CHEMBL2023357 | 74180 | 0 | None | -13 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 235 | 5 | 1 | 2 | 2.7 | NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 | 10.1021/ml200206z | ||
46937339 | 74180 | 0 | None | -13 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 235 | 5 | 1 | 2 | 2.7 | NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
CHEMBL2023357 | 74180 | 0 | None | -13 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 235 | 5 | 1 | 2 | 2.7 | NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
16115392 | 84768 | 0 | None | -5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 236 | 0 | 1 | 2 | 1.7 | Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
CHEMBL223292 | 84768 | 0 | None | -5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 236 | 0 | 1 | 2 | 1.7 | Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
16115388 | 137341 | 0 | None | -2 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 284 | 1 | 1 | 2 | 2.6 | CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
CHEMBL375302 | 137341 | 0 | None | -2 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 284 | 1 | 1 | 2 | 2.6 | CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
11209786 | 137215 | 0 | None | -208 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 296 | 1 | 1 | 2 | 2.7 | O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL375170 | 137215 | 0 | None | -208 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 296 | 1 | 1 | 2 | 2.7 | O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
9859257 | 205100 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.3 | C[C@H](N)CN1CCc2ccc3c(c21)CCO3 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL77880 | 205100 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.3 | C[C@H](N)CN1CCc2ccc3c(c21)CCO3 | 10.1016/j.bmcl.2003.05.001 | ||
168268877 | 189946 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5170784 | 189946 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
168268877 | 189946 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5170784 | 189946 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
230 | 4088 | 25 | None | -3 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.10.100 | ||
3045225 | 4088 | 25 | None | -3 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.10.100 | ||
CHEMBL407909 | 4088 | 25 | None | -3 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.10.100 | ||
5 | 139 | 72 | None | -7 | 27 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
5202 | 139 | 72 | None | -7 | 27 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
CHEMBL39 | 139 | 72 | None | -7 | 27 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
DB08839 | 139 | 72 | None | -7 | 27 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
44572798 | 12618 | 2 | None | -1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1cccc(F)c1 | 10.1021/jm801354e | ||
CHEMBL1187187 | 12618 | 2 | None | -1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1cccc(F)c1 | 10.1021/jm801354e | ||
CHEMBL492926 | 12618 | 2 | None | -1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1cccc(F)c1 | 10.1021/jm801354e | ||
46933845 | 16130 | 0 | None | -18 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224034 | 16130 | 0 | None | -18 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
54583743 | 61433 | 0 | None | 5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL1770382 | 61433 | 0 | None | 5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
118736630 | 118975 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 281 | 3 | 1 | 3 | 2.4 | CN(C)c1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
CHEMBL3425762 | 118975 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 281 | 3 | 1 | 3 | 2.4 | CN(C)c1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
122442263 | 138332 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769454 | 138332 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771393 | 138332 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44389646 | 64853 | 0 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)[C@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL182184 | 64853 | 0 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)[C@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
122442263 | 138332 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769454 | 138332 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771393 | 138332 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442260 | 138329 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769543 | 138329 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771390 | 138329 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
11949712 | 202138 | 0 | None | -3019 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1O[C@H]1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL609306 | 202138 | 0 | None | -3019 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1O[C@H]1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
118733764 | 120619 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416034 | 120619 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546890 | 120619 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
118733776 | 120625 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
CHEMBL3416040 | 120625 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
CHEMBL3546903 | 120625 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
70687695 | 74449 | 0 | None | -12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 205 | 5 | 1 | 2 | 2.5 | CCCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
CHEMBL2022186 | 74449 | 0 | None | -12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 205 | 5 | 1 | 2 | 2.5 | CCCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
CHEMBL2027987 | 74449 | 0 | None | -12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 205 | 5 | 1 | 2 | 2.5 | CCCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
134265675 | 164343 | 0 | None | -40 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.5 | Fc1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4212834 | 164343 | 0 | None | -40 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.5 | Fc1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1 | 10.1021/acsmedchemlett.8b00328 | ||
162645074 | 183600 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4740346 | 183600 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802388 | 183600 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
162645074 | 183600 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4740346 | 183600 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802388 | 183600 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
11400855 | 12422 | 7 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@@H]1C[C@H]1c1ccccc1 | 10.1021/jm801354e | ||
CHEMBL1186092 | 12422 | 7 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@@H]1C[C@H]1c1ccccc1 | 10.1021/jm801354e | ||
CHEMBL449134 | 12422 | 7 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@@H]1C[C@H]1c1ccccc1 | 10.1021/jm801354e | ||
57799306 | 89080 | 0 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337493 | 89080 | 0 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365469 | 89080 | 0 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
122442260 | 138329 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769543 | 138329 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771390 | 138329 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44315697 | 205482 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 254 | 4 | 1 | 3 | 2.6 | CCSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL80731 | 205482 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 254 | 4 | 1 | 3 | 2.6 | CCSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
168268736 | 192765 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5177718 | 192765 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221369 | 192765 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
9990808 | 122746 | 0 | None | -51 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2cc(F)c(Cl)cc21 | 10.1021/jm0709034 | ||
CHEMBL360492 | 122746 | 0 | None | -51 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2cc(F)c(Cl)cc21 | 10.1021/jm0709034 | ||
168268736 | 192765 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5177718 | 192765 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221369 | 192765 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
11652452 | 89097 | 0 | None | -9 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337492 | 89097 | 0 | None | -9 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365703 | 89097 | 0 | None | -9 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
44572749 | 12405 | 1 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccccc1Cl | 10.1021/jm801354e | ||
CHEMBL1185954 | 12405 | 1 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccccc1Cl | 10.1021/jm801354e | ||
CHEMBL443128 | 12405 | 1 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccccc1Cl | 10.1021/jm801354e | ||
44412150 | 77704 | 0 | None | -1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 258 | 1 | 1 | 4 | 1.3 | FC(F)(F)c1ccnc(N2CCC3CNCC32)n1 | 10.1016/j.bmcl.2006.03.007 | ||
CHEMBL208936 | 77704 | 0 | None | -1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 258 | 1 | 1 | 4 | 1.3 | FC(F)(F)c1ccnc(N2CCC3CNCC32)n1 | 10.1016/j.bmcl.2006.03.007 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
122442250 | 138319 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770689 | 138319 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771380 | 138319 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
16115644 | 136935 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL374436 | 136935 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
118736628 | 118974 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 295 | 4 | 2 | 3 | 3.2 | CC(C)Nc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
CHEMBL3425760 | 118974 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 295 | 4 | 2 | 3 | 3.2 | CC(C)Nc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
44573230 | 187269 | 0 | None | -3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL492910 | 187269 | 0 | None | -3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
3356430 | 193022 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5208864 | 193022 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222941 | 193022 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
70683433 | 74429 | 1 | None | -18 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 191 | 4 | 1 | 2 | 2.1 | CCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
CHEMBL2022185 | 74429 | 1 | None | -18 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 191 | 4 | 1 | 2 | 2.1 | CCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
CHEMBL2027895 | 74429 | 1 | None | -18 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 191 | 4 | 1 | 2 | 2.1 | CCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
122442250 | 138319 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770689 | 138319 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771380 | 138319 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442266 | 138318 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769499 | 138318 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771379 | 138318 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442266 | 138318 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769499 | 138318 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771379 | 138318 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44573016 | 12638 | 1 | None | -38 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1c(F)cccc1F | 10.1021/jm801354e | ||
CHEMBL1187322 | 12638 | 1 | None | -38 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1c(F)cccc1F | 10.1021/jm801354e | ||
CHEMBL498863 | 12638 | 1 | None | -38 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1c(F)cccc1F | 10.1021/jm801354e | ||
168272608 | 192769 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5177484 | 192769 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221391 | 192769 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
162657053 | 183657 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4757214 | 183657 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803017 | 183657 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
168272608 | 192769 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5177484 | 192769 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221391 | 192769 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
3356430 | 193022 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5208864 | 193022 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222941 | 193022 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
44573222 | 174288 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 294 | 2 | 1 | 3 | 1.5 | O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCCC1 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL455039 | 174288 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 294 | 2 | 1 | 3 | 1.5 | O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCCC1 | 10.1016/j.bmcl.2009.02.071 | ||
118733766 | 120613 | 0 | None | -33 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416035 | 120613 | 0 | None | -33 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546870 | 120613 | 0 | None | -33 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
146025686 | 183735 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4790992 | 183735 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803813 | 183735 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
146025686 | 183735 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4790992 | 183735 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803813 | 183735 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
44572757 | 12617 | 1 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F | 10.1021/jm801354e | ||
CHEMBL1187186 | 12617 | 1 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F | 10.1021/jm801354e | ||
CHEMBL492917 | 12617 | 1 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F | 10.1021/jm801354e | ||
45484742 | 198495 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 3 | 2 | 3 | 1.7 | c1ccc(COc2n[nH]c3c2CCNCC3)cc1 | 10.1016/j.bmcl.2009.07.063 | ||
CHEMBL577903 | 198495 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 3 | 2 | 3 | 1.7 | c1ccc(COc2n[nH]c3c2CCNCC3)cc1 | 10.1016/j.bmcl.2009.07.063 | ||
122442286 | 138326 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769987 | 138326 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771387 | 138326 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442286 | 138326 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769987 | 138326 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771387 | 138326 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44573221 | 193056 | 0 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 280 | 2 | 1 | 3 | 1.2 | O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCC1 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL522514 | 193056 | 0 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 280 | 2 | 1 | 3 | 1.2 | O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCC1 | 10.1016/j.bmcl.2009.02.071 | ||
44622848 | 193323 | 0 | None | -11 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 1.0 | O=c1cc2c(nn1Cc1ccccc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
CHEMBL524778 | 193323 | 0 | None | -11 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 1.0 | O=c1cc2c(nn1Cc1ccccc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
9881119 | 205450 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 232 | 2 | 1 | 3 | 1.7 | C[C@H](N)CN1CCc2ccc3c(c21)CCCO3 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL80482 | 205450 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 232 | 2 | 1 | 3 | 1.7 | C[C@H](N)CN1CCc2ccc3c(c21)CCCO3 | 10.1016/j.bmcl.2003.05.001 | ||
9990808 | 122746 | 0 | None | -51 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL360492 | 122746 | 0 | None | -51 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
44573012 | 12611 | 0 | None | -3 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1cccc(F)c1F | 10.1021/jm801354e | ||
CHEMBL1187168 | 12611 | 0 | None | -3 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1cccc(F)c1F | 10.1021/jm801354e | ||
CHEMBL492305 | 12611 | 0 | None | -3 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1cccc(F)c1F | 10.1021/jm801354e | ||
11206703 | 91063 | 0 | None | -12 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397887 | 91063 | 0 | None | -12 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
44572657 | 12435 | 6 | None | -7 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@H]1C[C@@H]1c1ccccc1 | 10.1021/jm801354e | ||
CHEMBL1186169 | 12435 | 6 | None | -7 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@H]1C[C@@H]1c1ccccc1 | 10.1021/jm801354e | ||
CHEMBL452719 | 12435 | 6 | None | -7 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@H]1C[C@@H]1c1ccccc1 | 10.1021/jm801354e | ||
44573004 | 12488 | 1 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccc([C@H]2C[C@@H]2CN)cc1 | 10.1021/jm801354e | ||
CHEMBL1186590 | 12488 | 1 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccc([C@H]2C[C@@H]2CN)cc1 | 10.1021/jm801354e | ||
CHEMBL471202 | 12488 | 1 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccc([C@H]2C[C@@H]2CN)cc1 | 10.1021/jm801354e | ||
53325938 | 56776 | 0 | None | -4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1ccccc1OC1CN(c2c3c(nc4ccnn24)CCNCC3)C1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643679 | 56776 | 0 | None | -4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1ccccc1OC1CN(c2c3c(nc4ccnn24)CCNCC3)C1 | 10.1016/j.bmcl.2010.11.089 | ||
10105208 | 62469 | 0 | None | -83 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | CC1CNCCc2ccc(C(F)(F)F)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL178124 | 62469 | 0 | None | -83 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | CC1CNCCc2ccc(C(F)(F)F)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
1355 | 1998 | 88 | None | -5 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0709034 | ||
142 | 1998 | 88 | None | -5 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0709034 | ||
CHEMBL478 | 1998 | 88 | None | -5 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0709034 | ||
DB12110 | 1998 | 88 | None | -5 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0709034 | ||
24773649 | 94798 | 0 | None | -10 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@H]1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
CHEMBL253591 | 94798 | 0 | None | -10 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@H]1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
24773651 | 154833 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)[C@H](C)CNCC2 | 10.1021/jm0709034 | ||
CHEMBL400600 | 154833 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)[C@H](C)CNCC2 | 10.1021/jm0709034 | ||
46228437 | 199961 | 1 | None | -39 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 343 | 3 | 1 | 4 | 3.6 | Clc1ccccc1O[C@H]1CCCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL595194 | 199961 | 1 | None | -39 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 343 | 3 | 1 | 4 | 3.6 | Clc1ccccc1O[C@H]1CCCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
24773895 | 94828 | 0 | None | -50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
CHEMBL253806 | 94828 | 0 | None | -50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
122442270 | 138321 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770753 | 138321 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771382 | 138321 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
24773979 | 130143 | 21 | None | -12 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 161 | 0 | 1 | 1 | 1.9 | CC1CNCCc2ccccc21 | 10.1021/jm0709034 | ||
CHEMBL367796 | 130143 | 21 | None | -12 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 161 | 0 | 1 | 1 | 1.9 | CC1CNCCc2ccccc21 | 10.1021/jm0709034 | ||
11264955 | 204938 | 0 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 240 | 3 | 1 | 3 | 2.3 | CSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL76474 | 204938 | 0 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 240 | 3 | 1 | 3 | 2.3 | CSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
152 | 363 | 29 | None | -2 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
2107 | 363 | 29 | None | -2 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
CHEMBL275854 | 363 | 29 | None | -2 | 5 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
11708275 | 72683 | 3 | None | 1 | 2 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 205 | 3 | 1 | 4 | 1.4 | COc1ccc2cnn(C[C@H](C)N)c2c1 | 10.1021/jm050663x | ||
CHEMBL199775 | 72683 | 3 | None | 1 | 2 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 205 | 3 | 1 | 4 | 1.4 | COc1ccc2cnn(C[C@H](C)N)c2c1 | 10.1021/jm050663x | ||
166 | 3334 | 18 | None | 2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
3045227 | 3334 | 18 | None | 2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL76781 | 3334 | 18 | None | 2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2018.01.002 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2018.01.002 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2018.01.002 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2018.01.002 | ||
16047544 | 12616 | 8 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
CHEMBL1187185 | 12616 | 8 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
CHEMBL492916 | 12616 | 8 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
44572172 | 12514 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 179 | 2 | 1 | 1 | 2.2 | Cc1cc([C@H]2C[C@@H]2CN)ccc1F | 10.1021/jm801354e | ||
CHEMBL1186686 | 12514 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 179 | 2 | 1 | 1 | 2.2 | Cc1cc([C@H]2C[C@@H]2CN)ccc1F | 10.1021/jm801354e | ||
CHEMBL474633 | 12514 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 179 | 2 | 1 | 1 | 2.2 | Cc1cc([C@H]2C[C@@H]2CN)ccc1F | 10.1021/jm801354e | ||
16115267 | 84764 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
CHEMBL223272 | 84764 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
9994008 | 166125 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.1 | CCC1CNCCc2cc(OC)c(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL426235 | 166125 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.1 | CCC1CNCCc2cc(OC)c(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
122442270 | 138321 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770753 | 138321 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771382 | 138321 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
22368315 | 63736 | 0 | None | -50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 255 | 1 | 1 | 2 | 2.1 | COc1cc2c(cc1Br)CCNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL180166 | 63736 | 0 | None | -50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 255 | 1 | 1 | 2 | 2.1 | COc1cc2c(cc1Br)CCNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
134265618 | 164031 | 0 | None | -323 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 2.1 | c1cc(CC2CCC2)c2c(n1)N1CCNCC1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4209052 | 164031 | 0 | None | -323 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 2.1 | c1cc(CC2CCC2)c2c(n1)N1CCNCC1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
46884138 | 8411 | 0 | None | -812 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
CHEMBL1093699 | 8411 | 0 | None | -812 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
44572812 | 12482 | 1 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1 | 10.1021/jm801354e | ||
CHEMBL1186561 | 12482 | 1 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1 | 10.1021/jm801354e | ||
CHEMBL469729 | 12482 | 1 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1 | 10.1021/jm801354e | ||
54587669 | 61430 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL1770379 | 61430 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
11609026 | 89098 | 0 | None | -125 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337500 | 89098 | 0 | None | -125 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365705 | 89098 | 0 | None | -125 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
44573014 | 12489 | 1 | None | -10 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)cc1F | 10.1021/jm801354e | ||
CHEMBL1186595 | 12489 | 1 | None | -10 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)cc1F | 10.1021/jm801354e | ||
CHEMBL471802 | 12489 | 1 | None | -10 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)cc1F | 10.1021/jm801354e | ||
3568128 | 192909 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5195443 | 192909 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222291 | 192909 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
3568128 | 192909 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5195443 | 192909 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222291 | 192909 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
44420682 | 137583 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 270 | 0 | 0 | 2 | 2.1 | CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1 | 10.1021/jm0612968 | ||
CHEMBL375642 | 137583 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 270 | 0 | 0 | 2 | 2.1 | CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1 | 10.1021/jm0612968 | ||
118733802 | 120627 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416053 | 120627 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546905 | 120627 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
168284548 | 192887 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5191889 | 192887 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222143 | 192887 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
168284548 | 192887 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5191889 | 192887 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222143 | 192887 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
118733788 | 120638 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416046 | 120638 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546955 | 120638 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
146025689 | 183693 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4781163 | 183693 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803350 | 183693 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
146025689 | 183693 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4781163 | 183693 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803350 | 183693 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
118733792 | 120646 | 0 | None | -12 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416048 | 120646 | 0 | None | -12 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546974 | 120646 | 0 | None | -12 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
162659286 | 183671 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4762225 | 183671 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803142 | 183671 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
122442266 | 138318 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769499 | 138318 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771379 | 138318 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442266 | 138318 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769499 | 138318 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771379 | 138318 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
162659286 | 183671 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4762225 | 183671 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803142 | 183671 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
146025687 | 183691 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4779260 | 183691 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803306 | 183691 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
118733804 | 120628 | 0 | None | -4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
CHEMBL3416054 | 120628 | 0 | None | -4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
CHEMBL3546906 | 120628 | 0 | None | -4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
162668367 | 183715 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4786831 | 183715 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803642 | 183715 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
122442309 | 138322 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769828 | 138322 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771383 | 138322 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
168294156 | 192981 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5207023 | 192981 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222736 | 192981 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
162668367 | 183715 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4786831 | 183715 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803642 | 183715 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
168294156 | 192981 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5207023 | 192981 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222736 | 192981 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
122442254 | 138320 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770963 | 138320 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771381 | 138320 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442309 | 138322 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769828 | 138322 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771383 | 138322 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
44572164 | 12651 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1F | 10.1021/jm801354e | ||
CHEMBL1187390 | 12651 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1F | 10.1021/jm801354e | ||
CHEMBL501526 | 12651 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1F | 10.1021/jm801354e | ||
146025687 | 183691 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4779260 | 183691 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803306 | 183691 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
46230099 | 199289 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CCNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590483 | 199289 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CCNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
118733794 | 120647 | 0 | None | -72 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416049 | 120647 | 0 | None | -72 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546975 | 120647 | 0 | None | -72 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
122442254 | 138320 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770963 | 138320 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771381 | 138320 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442286 | 138326 | 0 | None | -34 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769987 | 138326 | 0 | None | -34 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771387 | 138326 | 0 | None | -34 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
45484682 | 198348 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 323 | 2 | 1 | 4 | 2.0 | O=c1cc2c(nn1Cc1ccc(C(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
CHEMBL576651 | 198348 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 323 | 2 | 1 | 4 | 2.0 | O=c1cc2c(nn1Cc1ccc(C(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
44573153 | 187173 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 336 | 3 | 2 | 3 | 2.8 | O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL492348 | 187173 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 336 | 3 | 2 | 3 | 2.8 | O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
44573157 | 187274 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 316 | 3 | 1 | 3 | 2.2 | CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL492950 | 187274 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 316 | 3 | 1 | 3 | 2.2 | CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
134265622 | 164729 | 0 | None | -81 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 259 | 1 | 1 | 3 | 2.4 | CC(C)(C)Cc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4217787 | 164729 | 0 | None | -81 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 259 | 1 | 1 | 3 | 2.4 | CC(C)(C)Cc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
44412388 | 78156 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 272 | 1 | 1 | 4 | 1.7 | C[C@@H]1C[C@H]2CNC[C@H]2N1c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2006.03.007 | ||
CHEMBL210484 | 78156 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 272 | 1 | 1 | 4 | 1.7 | C[C@@H]1C[C@H]2CNC[C@H]2N1c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2006.03.007 | ||
145966293 | 164430 | 0 | None | -14 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | Brc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4213971 | 164430 | 0 | None | -14 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | Brc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
18735309 | 205410 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 262 | 2 | 1 | 2 | 2.6 | C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL80246 | 205410 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 262 | 2 | 1 | 2 | 2.6 | C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
118733814 | 120632 | 0 | None | -23 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
CHEMBL3416059 | 120632 | 0 | None | -23 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
CHEMBL3546910 | 120632 | 0 | None | -23 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
44572761 | 12648 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1ccccc1O | 10.1021/jm801354e | ||
CHEMBL1187377 | 12648 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1ccccc1O | 10.1021/jm801354e | ||
CHEMBL501117 | 12648 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1ccccc1O | 10.1021/jm801354e | ||
11302765 | 84219 | 4 | None | -309 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL221113 | 84219 | 4 | None | -309 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
11448649 | 83404 | 0 | None | -19 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 272 | 1 | 1 | 3 | 1.7 | O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL219734 | 83404 | 0 | None | -19 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 272 | 1 | 1 | 3 | 1.7 | O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
50878551 | 90716 | 61 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL2391541 | 90716 | 61 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
50878551 | 90716 | 61 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL2391541 | 90716 | 61 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
44572808 | 12674 | 0 | None | -1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1cccc(O)c1 | 10.1021/jm801354e | ||
CHEMBL1187585 | 12674 | 0 | None | -1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1cccc(O)c1 | 10.1021/jm801354e | ||
CHEMBL510383 | 12674 | 0 | None | -1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1cccc(O)c1 | 10.1021/jm801354e | ||
44431688 | 152716 | 0 | None | 1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 7 | 1 | 5 | 1.6 | COCCOCc1c2c(c(C[C@@H](C)N)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
CHEMBL397321 | 152716 | 0 | None | 1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 7 | 1 | 5 | 1.6 | COCCOCc1c2c(c(C[C@@H](C)N)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
5 | 139 | 72 | None | -2 | 27 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmc.2007.10.100 | ||
5202 | 139 | 72 | None | -2 | 27 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmc.2007.10.100 | ||
CHEMBL39 | 139 | 72 | None | -2 | 27 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmc.2007.10.100 | ||
DB08839 | 139 | 72 | None | -2 | 27 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmc.2007.10.100 | ||
135509961 | 136107 | 2 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 225 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21 | 10.1021/jm050663x | ||
CHEMBL373245 | 136107 | 2 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 225 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21 | 10.1021/jm050663x | ||
9991444 | 62602 | 1 | None | -15 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
CHEMBL178366 | 62602 | 1 | None | -15 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
154699445 | 177402 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 319 | 4 | 0 | 4 | 4.2 | CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1 | 10.1021/acs.jmedchem.0c00807 | ||
CHEMBL4638592 | 177402 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 319 | 4 | 0 | 4 | 4.2 | CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1 | 10.1021/acs.jmedchem.0c00807 | ||
11737032 | 84987 | 0 | None | -13 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 222 | 0 | 1 | 2 | 1.4 | O=C1c2c(Cl)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL223896 | 84987 | 0 | None | -13 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 222 | 0 | 1 | 2 | 1.4 | O=C1c2c(Cl)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
162674022 | 183197 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4796102 | 183197 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
22292784 | 64564 | 15 | None | -17 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2cc(Cl)ccc21 | 10.1021/jm0709034 | ||
CHEMBL181672 | 64564 | 15 | None | -17 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2cc(Cl)ccc21 | 10.1021/jm0709034 | ||
24773809 | 94853 | 0 | None | -63 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | C[C@H]1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
CHEMBL254009 | 94853 | 0 | None | -63 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | C[C@H]1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
122442300 | 138324 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769421 | 138324 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771385 | 138324 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
24773900 | 123406 | 8 | None | -6 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 191 | 1 | 1 | 2 | 1.9 | COc1ccc2c(c1)C(C)CNCC2 | 10.1021/jm0709034 | ||
CHEMBL361742 | 123406 | 8 | None | -6 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 191 | 1 | 1 | 2 | 1.9 | COc1ccc2c(c1)C(C)CNCC2 | 10.1021/jm0709034 | ||
118733778 | 120634 | 0 | None | -19 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
CHEMBL3416041 | 120634 | 0 | None | -19 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
CHEMBL3546951 | 120634 | 0 | None | -19 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
50942111 | 56817 | 0 | None | -5 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643854 | 56817 | 0 | None | -5 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
45485725 | 197804 | 0 | None | -19 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 348 | 5 | 1 | 6 | 1.9 | C[C@@H](COc1ccccc1Cl)n1nc(N2CCNCC2)ccc1=O | 10.1016/j.bmcl.2009.07.136 | ||
CHEMBL572252 | 197804 | 0 | None | -19 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 348 | 5 | 1 | 6 | 1.9 | C[C@@H](COc1ccccc1Cl)n1nc(N2CCNCC2)ccc1=O | 10.1016/j.bmcl.2009.07.136 | ||
122442300 | 138324 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769421 | 138324 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771385 | 138324 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
44572698 | 12520 | 0 | None | 5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 197 | 2 | 1 | 1 | 2.9 | NC[C@H]1C[C@@H]1c1ccc2ccccc2c1 | 10.1021/jm801354e | ||
CHEMBL1186700 | 12520 | 0 | None | 5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 197 | 2 | 1 | 1 | 2.9 | NC[C@H]1C[C@@H]1c1ccc2ccccc2c1 | 10.1021/jm801354e | ||
CHEMBL474885 | 12520 | 0 | None | 5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 197 | 2 | 1 | 1 | 2.9 | NC[C@H]1C[C@@H]1c1ccc2ccccc2c1 | 10.1021/jm801354e | ||
162652562 | 183633 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4752604 | 183633 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802785 | 183633 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
11666237 | 89083 | 0 | None | -30 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337496 | 89083 | 0 | None | -30 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365472 | 89083 | 0 | None | -30 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
162652562 | 183633 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4752604 | 183633 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802785 | 183633 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
44572755 | 12427 | 1 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
CHEMBL1186115 | 12427 | 1 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
CHEMBL450599 | 12427 | 1 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
22292784 | 64564 | 15 | None | -17 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2cc(Cl)ccc21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL181672 | 64564 | 15 | None | -17 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2cc(Cl)ccc21 | 10.1016/j.bmcl.2004.12.080 | ||
118733780 | 120614 | 0 | None | -7 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 255 | 6 | 1 | 3 | 2.4 | COCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416042 | 120614 | 0 | None | -7 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 255 | 6 | 1 | 3 | 2.4 | COCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546871 | 120614 | 0 | None | -7 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 255 | 6 | 1 | 3 | 2.4 | COCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
3572096 | 192874 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5186011 | 192874 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222066 | 192874 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
3572096 | 192874 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5186011 | 192874 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222066 | 192874 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
162670523 | 183726 | 0 | None | -20 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4790652 | 183726 | 0 | None | -20 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803766 | 183726 | 0 | None | -20 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
146025688 | 183670 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4761064 | 183670 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803134 | 183670 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
146025688 | 183670 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4761064 | 183670 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803134 | 183670 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
11313985 | 91054 | 0 | None | -18 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397878 | 91054 | 0 | None | -18 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
11949710 | 199879 | 0 | None | -50 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL594717 | 199879 | 0 | None | -50 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
118733772 | 120622 | 0 | None | -2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416038 | 120622 | 0 | None | -2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546893 | 120622 | 0 | None | -2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
11737939 | 84198 | 0 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 2.1 | O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL220900 | 84198 | 0 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 2.1 | O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
11291 | 3196 | 26 | None | 1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1016/j.bmcl.2005.06.104 | ||
4980 | 3196 | 26 | None | 1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL65547 | 3196 | 26 | None | 1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1016/j.bmcl.2005.06.104 | ||
162670523 | 183726 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4790652 | 183726 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803766 | 183726 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
168283046 | 192868 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5185474 | 192868 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222039 | 192868 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
162676809 | 183768 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4799299 | 183768 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4804137 | 183768 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
4240627 | 192910 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5198376 | 192910 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222297 | 192910 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
162676809 | 183768 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4799299 | 183768 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4804137 | 183768 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
4240627 | 192910 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5198376 | 192910 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222297 | 192910 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
44431689 | 87220 | 0 | None | -13 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 383 | 7 | 1 | 6 | 2.6 | C[C@@H](N)Cc1c2c(c(COCC(=O)Oc3ccccc3)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
CHEMBL232995 | 87220 | 0 | None | -13 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 383 | 7 | 1 | 6 | 2.6 | C[C@@H](N)Cc1c2c(c(COCC(=O)Oc3ccccc3)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
44572800 | 12621 | 3 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1 | 10.1021/jm801354e | ||
CHEMBL1187194 | 12621 | 3 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1 | 10.1021/jm801354e | ||
CHEMBL493128 | 12621 | 3 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1 | 10.1021/jm801354e | ||
168283046 | 192868 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5185474 | 192868 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222039 | 192868 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
44412403 | 77769 | 0 | None | 7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 222 | 1 | 1 | 2 | 2.1 | Clc1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
CHEMBL209254 | 77769 | 0 | None | 7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 222 | 1 | 1 | 2 | 2.1 | Clc1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
135399866 | 72026 | 2 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | C[C@H](N)Cn1ncc2ccc(O)c(F)c21 | 10.1021/jm050663x | ||
CHEMBL197653 | 72026 | 2 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | C[C@H](N)Cn1ncc2ccc(O)c(F)c21 | 10.1021/jm050663x | ||
44431705 | 145101 | 0 | None | 6 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 2 | 2 | 4 | 1.7 | C[C@@H](N)[C@H](O)c1c2c(c(Br)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
CHEMBL391196 | 145101 | 0 | None | 6 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 2 | 2 | 4 | 1.7 | C[C@@H](N)[C@H](O)c1c2c(c(Br)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
18735313 | 204911 | 1 | None | 6 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL76307 | 204911 | 1 | None | 6 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
162650400 | 183625 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4748110 | 183625 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802669 | 183625 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
54581791 | 61434 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL1770383 | 61434 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
162650400 | 183625 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4748110 | 183625 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802669 | 183625 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
53324165 | 56771 | 0 | None | -9 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 231 | 2 | 2 | 5 | 0.8 | CCNc1c2c(nc3ccnn13)CCNCC2 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643674 | 56771 | 0 | None | -9 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 231 | 2 | 2 | 5 | 0.8 | CCNc1c2c(nc3ccnn13)CCNCC2 | 10.1016/j.bmcl.2010.11.089 | ||
122442263 | 138332 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769454 | 138332 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771393 | 138332 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442263 | 138332 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769454 | 138332 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771393 | 138332 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
118733800 | 120626 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416052 | 120626 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546904 | 120626 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
46230098 | 199306 | 0 | None | -30 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1cccc2c1C(=O)NC1CCNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590580 | 199306 | 0 | None | -30 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1cccc2c1C(=O)NC1CCNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
134265705 | 164067 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 189 | 0 | 1 | 3 | 0.8 | c1cnc2c(c1)CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4209572 | 164067 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 189 | 0 | 1 | 3 | 0.8 | c1cnc2c(c1)CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
54584721 | 61428 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL1770377 | 61428 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
118733812 | 120616 | 0 | None | -4 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
CHEMBL3416058 | 120616 | 0 | None | -4 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
CHEMBL3546873 | 120616 | 0 | None | -4 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
24849050 | 78271 | 2 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 258 | 1 | 1 | 4 | 1.3 | FC(F)(F)c1ccnc(N2CC[C@H]3CNC[C@H]32)n1 | 10.1016/j.bmcl.2006.03.007 | ||
CHEMBL210802 | 78271 | 2 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 258 | 1 | 1 | 4 | 1.3 | FC(F)(F)c1ccnc(N2CC[C@H]3CNC[C@H]32)n1 | 10.1016/j.bmcl.2006.03.007 | ||
10036629 | 64607 | 0 | None | -9 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)C(C)CNCC2 | 10.1021/jm0709034 | ||
CHEMBL181787 | 64607 | 0 | None | -9 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)C(C)CNCC2 | 10.1021/jm0709034 | ||
24773728 | 94831 | 0 | None | -31 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 209 | 1 | 1 | 1 | 3.0 | CC[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
CHEMBL253810 | 94831 | 0 | None | -31 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 209 | 1 | 1 | 1 | 3.0 | CC[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
118733806 | 120629 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
CHEMBL3416055 | 120629 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
CHEMBL3546907 | 120629 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
10064386 | 63287 | 4 | None | -32 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 317 | 1 | 1 | 2 | 2.5 | COc1cc2c(cc1I)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL179378 | 63287 | 4 | None | -32 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 317 | 1 | 1 | 2 | 2.5 | COc1cc2c(cc1I)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
44572802 | 12412 | 2 | None | -13 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
CHEMBL1186019 | 12412 | 2 | None | -13 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
CHEMBL445747 | 12412 | 2 | None | -13 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
11983273 | 77967 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 1 | 1 | 2 | 2.5 | FC(F)(F)c1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
CHEMBL209714 | 77967 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 1 | 1 | 2 | 2.5 | FC(F)(F)c1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
118733796 | 120615 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416050 | 120615 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546872 | 120615 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
44572747 | 12673 | 2 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccccc1F | 10.1021/jm801354e | ||
CHEMBL1187580 | 12673 | 2 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccccc1F | 10.1021/jm801354e | ||
CHEMBL510308 | 12673 | 2 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccccc1F | 10.1021/jm801354e | ||
44573217 | 187315 | 0 | None | 10 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 302 | 3 | 2 | 3 | 2.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL493152 | 187315 | 0 | None | 10 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 302 | 3 | 2 | 3 | 2.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
44572174 | 12515 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 195 | 2 | 1 | 1 | 2.7 | Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
CHEMBL1186687 | 12515 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 195 | 2 | 1 | 1 | 2.7 | Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
CHEMBL474634 | 12515 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 195 | 2 | 1 | 1 | 2.7 | Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
44316017 | 205429 | 0 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.2 | C[C@H](N)CN1CCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL80366 | 205429 | 0 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.2 | C[C@H](N)CN1CCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
11644842 | 89068 | 0 | None | -12 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337105 | 89068 | 0 | None | -12 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365394 | 89068 | 0 | None | -12 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
53321865 | 56818 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)nc1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643855 | 56818 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)nc1 | 10.1016/j.bmcl.2010.11.089 | ||
122442273 | 138331 | 0 | None | -5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771152 | 138331 | 0 | None | -5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771392 | 138331 | 0 | None | -5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44316027 | 205499 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 236 | 4 | 1 | 3 | 2.5 | CCSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL80862 | 205499 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 236 | 4 | 1 | 3 | 2.5 | CCSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
162644827 | 183599 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4739937 | 183599 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802378 | 183599 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
162660358 | 183680 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4762722 | 183680 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803207 | 183680 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
122442273 | 138331 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771152 | 138331 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771392 | 138331 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
162644827 | 183599 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4739937 | 183599 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4802378 | 183599 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
53317925 | 56822 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 390 | 3 | 2 | 7 | 1.2 | O=C1Cc2cc(OC3CN(c4c5c(nc6ccnn46)CCNCC5)C3)ccc2N1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643859 | 56822 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 390 | 3 | 2 | 7 | 1.2 | O=C1Cc2cc(OC3CN(c4c5c(nc6ccnn46)CCNCC5)C3)ccc2N1 | 10.1016/j.bmcl.2010.11.089 | ||
162660358 | 183680 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4762722 | 183680 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803207 | 183680 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
118733816 | 120633 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416060 | 120633 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546911 | 120633 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
10624 | 70271 | 19 | None | 6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
138543650 | 70271 | 19 | None | 6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL194378 | 70271 | 19 | None | 6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
46228422 | 200013 | 0 | None | -33 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1O[C@@H]1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL595553 | 200013 | 0 | None | -33 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1O[C@@H]1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
44572806 | 12622 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
CHEMBL1187195 | 12622 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
CHEMBL493129 | 12622 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
44573218 | 193033 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 320 | 3 | 2 | 3 | 2.3 | O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL522349 | 193033 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 320 | 3 | 2 | 3 | 2.3 | O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
1534 | 103013 | 53 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
9287 | 103013 | 53 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL30713 | 103013 | 53 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
1534 | 103013 | 53 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
9287 | 103013 | 53 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL30713 | 103013 | 53 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
162659049 | 183669 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4761526 | 183669 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803123 | 183669 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
134265620 | 164382 | 0 | None | -6456 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.4 | c1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4213379 | 164382 | 0 | None | -6456 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.4 | c1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1 | 10.1021/acsmedchemlett.8b00328 | ||
162659049 | 183669 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4761526 | 183669 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803123 | 183669 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
44572804 | 12591 | 1 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 | 10.1021/jm801354e | ||
CHEMBL1187088 | 12591 | 1 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 | 10.1021/jm801354e | ||
CHEMBL490064 | 12591 | 1 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 | 10.1021/jm801354e | ||
162669436 | 183721 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4789310 | 183721 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803705 | 183721 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
134265590 | 164734 | 0 | None | -2 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 189 | 0 | 1 | 3 | 0.8 | c1cc2c(cn1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
CHEMBL4217846 | 164734 | 0 | None | -2 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 189 | 0 | 1 | 3 | 0.8 | c1cc2c(cn1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
9991444 | 62602 | 1 | None | -15 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL178366 | 62602 | 1 | None | -15 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
24773900 | 123406 | 8 | None | -6 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 191 | 1 | 1 | 2 | 1.9 | COc1ccc2c(c1)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL361742 | 123406 | 8 | None | -6 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 191 | 1 | 1 | 2 | 1.9 | COc1ccc2c(c1)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
162669436 | 183721 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4789310 | 183721 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803705 | 183721 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
10105208 | 62469 | 0 | None | -83 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | CC1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
CHEMBL178124 | 62469 | 0 | None | -83 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | CC1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
11160564 | 63274 | 4 | None | -40 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2c(Cl)cc(Cl)cc21 | 10.1021/jm0709034 | ||
CHEMBL179337 | 63274 | 4 | None | -40 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2c(Cl)cc(Cl)cc21 | 10.1021/jm0709034 | ||
23395431 | 94884 | 0 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | C[C@@H]1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
CHEMBL254215 | 94884 | 0 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | C[C@@H]1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
16115517 | 84809 | 0 | None | -5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL223468 | 84809 | 0 | None | -5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
44572178 | 12529 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1cccc([C@H]2C[C@@H]2CN)c1C | 10.1021/jm801354e | ||
CHEMBL1186736 | 12529 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1cccc([C@H]2C[C@@H]2CN)c1C | 10.1021/jm801354e | ||
CHEMBL475642 | 12529 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1cccc([C@H]2C[C@@H]2CN)c1C | 10.1021/jm801354e | ||
135520431 | 72580 | 9 | None | -1 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 177 | 2 | 2 | 4 | 0.7 | NCCn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL199385 | 72580 | 9 | None | -1 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 177 | 2 | 2 | 4 | 0.7 | NCCn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
135414348 | 72780 | 2 | None | -1 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 205 | 2 | 2 | 4 | 1.4 | Cc1c(O)ccc2cnn(C[C@H](C)N)c12 | 10.1021/jm050663x | ||
CHEMBL200104 | 72780 | 2 | None | -1 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 205 | 2 | 2 | 4 | 1.4 | Cc1c(O)ccc2cnn(C[C@H](C)N)c12 | 10.1021/jm050663x | ||
44573154 | 187174 | 0 | None | -17 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 350 | 4 | 2 | 3 | 2.5 | O=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
CHEMBL492349 | 187174 | 0 | None | -17 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 350 | 4 | 2 | 3 | 2.5 | O=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
45484662 | 198468 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1cccc(Cl)c1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
CHEMBL577691 | 198468 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1cccc(Cl)c1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
11231392 | 84865 | 0 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.6 | CC(C)Oc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
CHEMBL223628 | 84865 | 0 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.6 | CC(C)Oc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
71682217 | 91089 | 0 | None | -10 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1c(C)ccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397913 | 91089 | 0 | None | -10 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1c(C)ccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
44572170 | 12433 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl | 10.1021/jm801354e | ||
CHEMBL1186164 | 12433 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl | 10.1021/jm801354e | ||
CHEMBL452458 | 12433 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl | 10.1021/jm801354e | ||
118733810 | 120631 | 0 | None | -9 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
CHEMBL3416057 | 120631 | 0 | None | -9 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
CHEMBL3546909 | 120631 | 0 | None | -9 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
162657367 | 183658 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4756903 | 183658 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803034 | 183658 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
45484700 | 197280 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 295 | 3 | 1 | 4 | 1.9 | O=c1cc2c(nn1Cc1ccc(C3CC3)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
CHEMBL568692 | 197280 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 295 | 3 | 1 | 4 | 1.9 | O=c1cc2c(nn1Cc1ccc(C3CC3)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
11160564 | 63274 | 4 | None | -40 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2c(Cl)cc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
CHEMBL179337 | 63274 | 4 | None | -40 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2c(Cl)cc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
53320653 | 56770 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 245 | 2 | 1 | 5 | 0.9 | CCN(C)c1c2c(nc3ccnn13)CCNCC2 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643673 | 56770 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 245 | 2 | 1 | 5 | 0.9 | CCN(C)c1c2c(nc3ccnn13)CCNCC2 | 10.1016/j.bmcl.2010.11.089 | ||
135399666 | 168739 | 7 | None | 1 | 6 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL437314 | 168739 | 7 | None | 1 | 6 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
12370465 | 12642 | 18 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NCC1CC1c1ccccc1 | 10.1021/jm801354e | ||
CHEMBL1187354 | 12642 | 18 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NCC1CC1c1ccccc1 | 10.1021/jm801354e | ||
CHEMBL500093 | 12642 | 18 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NCC1CC1c1ccccc1 | 10.1021/jm801354e | ||
162657367 | 183658 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4756903 | 183658 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
CHEMBL4803034 | 183658 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
118733762 | 120618 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416033 | 120618 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546889 | 120618 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
11437171 | 83461 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 234 | 1 | 1 | 3 | 1.5 | CSc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
CHEMBL220207 | 83461 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 234 | 1 | 1 | 3 | 1.5 | CSc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
168286640 | 192904 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5194223 | 192904 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222252 | 192904 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
168294430 | 192983 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5205429 | 192983 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222746 | 192983 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
168294430 | 192983 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5205429 | 192983 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222746 | 192983 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
24826868 | 91053 | 1 | None | 1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397877 | 91053 | 1 | None | 1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
11695000 | 89042 | 0 | None | -7 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337490 | 89042 | 0 | None | -7 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365083 | 89042 | 0 | None | -7 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
122461343 | 138337 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769704 | 138337 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771398 | 138337 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
7153 | 97992 | 77 | None | 1 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | 10.1016/j.bmc.2007.10.100 | ||
CHEMBL272942 | 97992 | 77 | None | 1 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | 10.1016/j.bmc.2007.10.100 | ||
154699445 | 177402 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 319 | 4 | 0 | 4 | 4.2 | CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1 | 10.1021/acs.jmedchem.0c00807 | ||
CHEMBL4638592 | 177402 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 319 | 4 | 0 | 4 | 4.2 | CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1 | 10.1021/acs.jmedchem.0c00807 | ||
122461343 | 138337 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769704 | 138337 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771398 | 138337 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
11514226 | 89081 | 0 | None | -85 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337494 | 89081 | 0 | None | -85 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365470 | 89081 | 0 | None | -85 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
45484661 | 198858 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1ccccc1Cl)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
CHEMBL584210 | 198858 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1ccccc1Cl)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
53325935 | 56767 | 0 | None | -17 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 243 | 1 | 1 | 5 | 0.6 | c1cc2nc3c(c(N4CCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643670 | 56767 | 0 | None | -17 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 243 | 1 | 1 | 5 | 0.6 | c1cc2nc3c(c(N4CCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
53324630 | 56773 | 0 | None | -18 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1ccccc1OC1CN(c2c3c(nc4ccnn24)CCNCC3)C1 | 10.1016/j.bmcl.2010.11.089 | ||
CHEMBL1643676 | 56773 | 0 | None | -18 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1ccccc1OC1CN(c2c3c(nc4ccnn24)CCNCC3)C1 | 10.1016/j.bmcl.2010.11.089 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
122442275 | 138336 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770862 | 138336 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771397 | 138336 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
122442275 | 138336 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3770862 | 138336 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771397 | 138336 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
168288743 | 192923 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5192627 | 192923 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222395 | 192923 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
4543677 | 192766 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5179287 | 192766 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221372 | 192766 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
4543677 | 192766 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5179287 | 192766 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221372 | 192766 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
168288743 | 192923 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5192627 | 192923 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222395 | 192923 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
118733774 | 120624 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3416039 | 120624 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
CHEMBL3546902 | 120624 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
46228430 | 199715 | 0 | None | -8 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 343 | 3 | 1 | 4 | 3.6 | Clc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL593545 | 199715 | 0 | None | -8 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 343 | 3 | 1 | 4 | 3.6 | Clc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
44138039 | 179265 | 10 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 363 | 4 | 1 | 2 | 4.3 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473185 | 179265 | 10 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 363 | 4 | 1 | 2 | 4.3 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565847 | 180545 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 367 | 4 | 1 | 3 | 3.6 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL475407 | 180545 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 367 | 4 | 1 | 3 | 3.6 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565831 | 180412 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 345 | 4 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL475245 | 180412 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 345 | 4 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565608 | 179244 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 385 | 4 | 1 | 3 | 3.8 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472990 | 179244 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 385 | 4 | 1 | 3 | 3.8 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
188 | 3366 | 80 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
196968 | 3366 | 80 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473186 | 3366 | 80 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
44565850 | 179709 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 349 | 3 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL474408 | 179709 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 349 | 3 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
4366334 | 80380 | 8 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 379 | 3 | 0 | 4 | 4.6 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL214554 | 80380 | 8 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 379 | 3 | 0 | 4 | 4.6 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44565638 | 189605 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 417 | 4 | 1 | 3 | 4.8 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL514934 | 189605 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 417 | 4 | 1 | 3 | 4.8 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
3743171 | 80105 | 13 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 445 | 1 | 0 | 4 | 5.1 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL213329 | 80105 | 13 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 445 | 1 | 0 | 4 | 5.1 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
145976085 | 163641 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4204576 | 163641 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
145972374 | 164650 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4216860 | 164650 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
44565828 | 179174 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 395 | 3 | 0 | 3 | 5.3 | Cn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc21 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472416 | 179174 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 395 | 3 | 0 | 3 | 5.3 | Cn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc21 | 10.1016/j.bmcl.2009.02.126 | ||
127035063 | 136461 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2 | 10.1039/C4MD00418C | ||
CHEMBL3736149 | 136461 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2 | 10.1039/C4MD00418C | ||
127037093 | 136483 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 433 | 11 | 0 | 5 | 4.8 | COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3736252 | 136483 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 433 | 11 | 0 | 5 | 4.8 | COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
118464427 | 138309 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 328 | 3 | 4 | 6 | 1.8 | CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3771331 | 138309 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 328 | 3 | 4 | 6 | 1.8 | CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
752565 | 138264 | 8 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 273 | 2 | 3 | 6 | 1.7 | COc1cccc(NC2=NC(N)=NC3(CCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770770 | 138264 | 8 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 273 | 2 | 3 | 6 | 1.7 | COc1cccc(NC2=NC(N)=NC3(CCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
44565849 | 179271 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 431 | 5 | 1 | 3 | 4.9 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473235 | 179271 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 431 | 5 | 1 | 3 | 4.9 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565805 | 189610 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.6 | O=C(c1ccc(C2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL514967 | 189610 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.6 | O=C(c1ccc(C2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44416247 | 141433 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 393 | 3 | 0 | 4 | 4.9 | CCCN1CCC2(CC1)Oc1ccc(C)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL384255 | 141433 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 393 | 3 | 0 | 4 | 4.9 | CCCN1CCC2(CC1)Oc1ccc(C)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44156863 | 8046 | 0 | None | -21 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 345 | 3 | 0 | 6 | 2.8 | CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1016/j.bmcl.2010.02.046 | ||
CHEMBL1091206 | 8046 | 0 | None | -21 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 345 | 3 | 0 | 6 | 2.8 | CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1016/j.bmcl.2010.02.046 | ||
44565827 | 179173 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccc2)cn1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472415 | 179173 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccc2)cn1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565636 | 179243 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472986 | 179243 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
16812804 | 171096 | 8 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 3 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL445809 | 171096 | 8 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 3 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565606 | 179216 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472789 | 179216 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565806 | 180084 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 388 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL474839 | 180084 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 388 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
168295984 | 192196 | 0 | None | -8 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccccc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5204813 | 192196 | 0 | None | -8 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccccc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
127034715 | 136369 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 537 | 15 | 0 | 8 | 5.2 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735261 | 136369 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 537 | 15 | 0 | 8 | 5.2 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
127035064 | 136446 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
CHEMBL3735911 | 136446 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
127034730 | 136414 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 523 | 14 | 0 | 8 | 5.1 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735643 | 136414 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 523 | 14 | 0 | 8 | 5.1 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
46830134 | 8185 | 0 | None | -37 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 373 | 3 | 0 | 6 | 3.5 | CSc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
CHEMBL1092241 | 8185 | 0 | None | -37 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 373 | 3 | 0 | 6 | 3.5 | CSc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
3781561 | 138573 | 6 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Br)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL377562 | 138573 | 6 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Br)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
10449757 | 3469 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
190 | 3469 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL2110371 | 3469 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
71528206 | 86942 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 314 | 3 | 0 | 4 | 2.8 | COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
CHEMBL2323581 | 86942 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 314 | 3 | 0 | 4 | 2.8 | COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
3830738 | 141621 | 7 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 395 | 2 | 0 | 4 | 5.1 | CC(C)N1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL385346 | 141621 | 7 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 395 | 2 | 0 | 4 | 5.1 | CC(C)N1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44565831 | 180412 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 345 | 4 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL475245 | 180412 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 345 | 4 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
145988313 | 167211 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
CHEMBL4292326 | 167211 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
4203621 | 138963 | 14 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 397 | 2 | 0 | 5 | 4.3 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Cl)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL378541 | 138963 | 14 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 397 | 2 | 0 | 5 | 4.3 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Cl)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
3898525 | 139554 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 362 | 3 | 0 | 5 | 3.8 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL379734 | 139554 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 362 | 3 | 0 | 5 | 3.8 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44565635 | 179242 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472985 | 179242 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565641 | 179294 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 353 | 3 | 1 | 2 | 4.5 | O=C(c1ccc(-c2ccccc2)cc1)N1CC(c2nc3ccccc3[nH]2)C1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473391 | 179294 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 353 | 3 | 1 | 2 | 4.5 | O=C(c1ccc(-c2ccccc2)cc1)N1CC(c2nc3ccccc3[nH]2)C1 | 10.1016/j.bmcl.2009.02.126 | ||
44565829 | 179194 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 3 | 0 | 3 | 5.5 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3o2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472589 | 179194 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 3 | 0 | 3 | 5.5 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3o2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
53327611 | 69725 | 0 | None | -154 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 401 | 2 | 1 | 5 | 3.6 | O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCCOC1)NCC3 | 10.1016/j.bmcl.2011.11.050 | ||
CHEMBL1935601 | 69725 | 0 | None | -154 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 401 | 2 | 1 | 5 | 3.6 | O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCCOC1)NCC3 | 10.1016/j.bmcl.2011.11.050 | ||
44416290 | 141359 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 424 | 4 | 0 | 5 | 4.7 | c1ccc(CCN2CCC3(CC2)Oc2ccccc2C2CC(c4ccncc4)=NN23)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL383860 | 141359 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 424 | 4 | 0 | 5 | 4.7 | c1ccc(CCN2CCC3(CC2)Oc2ccccc2C2CC(c4ccncc4)=NN23)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
44565824 | 179269 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 4 | 1 | 3 | 6.1 | O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473214 | 179269 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 4 | 1 | 3 | 6.1 | O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44155109 | 8142 | 4 | None | -21 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 373 | 3 | 0 | 6 | 3.5 | CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
CHEMBL1091919 | 8142 | 4 | None | -21 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 373 | 3 | 0 | 6 | 3.5 | CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
732268 | 138271 | 33 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 257 | 1 | 3 | 5 | 2.0 | NC1=NC2(CCCCC2)NC(Nc2ccccc2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL3770837 | 138271 | 33 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 257 | 1 | 3 | 5 | 2.0 | NC1=NC2(CCCCC2)NC(Nc2ccccc2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
44565635 | 179242 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472985 | 179242 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
3716424 | 81021 | 6 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 477 | 3 | 0 | 5 | 5.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(OC(F)F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL215380 | 81021 | 6 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 477 | 3 | 0 | 5 | 5.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(OC(F)F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
3826158 | 79898 | 12 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 469 | 4 | 0 | 5 | 5.2 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(OC)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL212506 | 79898 | 12 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 469 | 4 | 0 | 5 | 5.2 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(OC)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
118464428 | 138236 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 343 | 4 | 3 | 7 | 2.6 | CCCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770512 | 138236 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 343 | 4 | 3 | 7 | 2.6 | CCCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
145988313 | 167211 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
CHEMBL4292326 | 167211 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
136020618 | 163890 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4207302 | 163890 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
3736302 | 138893 | 7 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 2 | 0 | 4 | 5.2 | CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL378357 | 138893 | 7 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 2 | 0 | 4 | 5.2 | CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
188 | 3366 | 80 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
196968 | 3366 | 80 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473186 | 3366 | 80 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
145979048 | 166634 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 407 | 3 | 3 | 7 | 3.0 | CCOC(=O)c1cc(Br)cc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4281546 | 166634 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 407 | 3 | 3 | 7 | 3.0 | CCOC(=O)c1cc(Br)cc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
44565846 | 180544 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 395 | 4 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL475406 | 180544 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 395 | 4 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
16812804 | 171096 | 8 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 381 | 3 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL445809 | 171096 | 8 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 381 | 3 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565830 | 179698 | 2 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 331 | 3 | 1 | 2 | 4.1 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL474404 | 179698 | 2 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 331 | 3 | 1 | 2 | 4.1 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565605 | 189669 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL515422 | 189669 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44416309 | 141416 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 376 | 3 | 0 | 5 | 4.1 | CC(C)CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL384160 | 141416 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 376 | 3 | 0 | 5 | 4.1 | CC(C)CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
145993660 | 167345 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 413 | 1 | 3 | 5 | 3.6 | NC1=NC2(CCCCC2)NC(Nc2cc(Br)cc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4294723 | 167345 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 413 | 1 | 3 | 5 | 3.6 | NC1=NC2(CCCCC2)NC(Nc2cc(Br)cc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
44565637 | 179266 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 2 | 3 | 3.9 | O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473187 | 179266 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 2 | 3 | 3.9 | O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
71528204 | 86940 | 0 | None | -15 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 1 | 5 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
CHEMBL2323579 | 86940 | 0 | None | -15 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 1 | 5 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
118464429 | 167093 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 383 | 1 | 3 | 5 | 2.6 | NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4290245 | 167093 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 383 | 1 | 3 | 5 | 2.6 | NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
26694436 | 162888 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 354 | 5 | 2 | 3 | 2.9 | CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 | 10.1021/acs.jmedchem.8b00654 | ||
CHEMBL4173963 | 162888 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 354 | 5 | 2 | 3 | 2.9 | CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 | 10.1021/acs.jmedchem.8b00654 | ||
44565807 | 180086 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 390 | 3 | 1 | 4 | 3.4 | O=C(c1ccc(N2CCOCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL474840 | 180086 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 390 | 3 | 1 | 4 | 3.4 | O=C(c1ccc(N2CCOCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44416259 | 138178 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 397 | 3 | 0 | 4 | 4.7 | CCCN1CCC2(CC1)Oc1ccc(F)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL376978 | 138178 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 397 | 3 | 0 | 4 | 4.7 | CCCN1CCC2(CC1)Oc1ccc(F)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
3649661 | 138194 | 7 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 329 | 3 | 3 | 7 | 2.2 | CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770106 | 138194 | 7 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 329 | 3 | 3 | 7 | 2.2 | CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
11502243 | 189482 | 48 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL513994 | 189482 | 48 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmcl.2009.02.126 | ||
11949710 | 199879 | 0 | None | -50 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL594717 | 199879 | 0 | None | -50 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
5093797 | 81044 | 7 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 367 | 1 | 0 | 4 | 4.3 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL215461 | 81044 | 7 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 367 | 1 | 0 | 4 | 4.3 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
895660 | 32363 | 8 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 287 | 2 | 3 | 6 | 2.0 | COc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL1411080 | 32363 | 8 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 287 | 2 | 3 | 6 | 2.0 | COc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
118464425 | 138284 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 357 | 3 | 2 | 7 | 2.8 | CCOC(=O)c1cccc(NC2=NC(N(C)C)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770981 | 138284 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 357 | 3 | 2 | 7 | 2.8 | CCOC(=O)c1cccc(NC2=NC(N(C)C)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
5113614 | 80032 | 7 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 457 | 3 | 0 | 4 | 5.3 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL213005 | 80032 | 7 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 457 | 3 | 0 | 4 | 5.3 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44565808 | 180887 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL475778 | 180887 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
11502243 | 189482 | 48 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL513994 | 189482 | 48 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmcl.2009.02.126 | ||
11957541 | 1446 | 40 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
1229 | 1446 | 40 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
147 | 1446 | 40 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
170617 | 1446 | 40 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
CHEMBL6616 | 1446 | 40 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
3723094 | 79935 | 10 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 429 | 1 | 0 | 4 | 4.6 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL212656 | 79935 | 10 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 429 | 1 | 0 | 4 | 4.6 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44565608 | 179244 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 385 | 4 | 1 | 3 | 3.8 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472990 | 179244 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 385 | 4 | 1 | 3 | 3.8 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565846 | 180544 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 395 | 4 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL475406 | 180544 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 395 | 4 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
168284710 | 191569 | 0 | None | -18 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccc(Br)cc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5195241 | 191569 | 0 | None | -18 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccc(Br)cc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
136020617 | 57293 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL1651095 | 57293 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
44565805 | 189610 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.6 | O=C(c1ccc(C2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL514967 | 189610 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.6 | O=C(c1ccc(C2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44416260 | 79962 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 3 | 0 | 4 | 5.2 | CCCN1CCC2(CC1)Oc1ccc(Cl)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL212755 | 79962 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 3 | 0 | 4 | 5.2 | CCCN1CCC2(CC1)Oc1ccc(Cl)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44565847 | 180545 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 367 | 4 | 1 | 3 | 3.6 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL475407 | 180545 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 367 | 4 | 1 | 3 | 3.6 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565808 | 180887 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL475778 | 180887 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
11248240 | 2646 | 4 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 462 | 5 | 4 | 8 | 1.8 | CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl | 10.1021/acs.jmedchem.6b01183 | ||
5601 | 2646 | 4 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 462 | 5 | 4 | 8 | 1.8 | CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL175543 | 2646 | 4 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 462 | 5 | 4 | 8 | 1.8 | CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl | 10.1021/acs.jmedchem.6b01183 | ||
752521 | 198714 | 8 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 295 | 1 | 3 | 5 | 1.9 | CC1(C)N=C(N)N=C(Nc2cccc(Br)c2)N1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL582877 | 198714 | 8 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 295 | 1 | 3 | 5 | 1.9 | CC1(C)N=C(N)N=C(Nc2cccc(Br)c2)N1 | 10.1021/acs.jmedchem.5b01631 | ||
118464420 | 138220 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770342 | 138220 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
44565634 | 179217 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2cccnc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472791 | 179217 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2cccnc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565850 | 179709 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 349 | 3 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL474408 | 179709 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 349 | 3 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
118464420 | 138220 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL3770342 | 138220 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
118464426 | 138221 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 327 | 4 | 3 | 6 | 3.0 | CCCC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770351 | 138221 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 327 | 4 | 3 | 6 | 3.0 | CCCC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
3751272 | 80567 | 13 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 443 | 3 | 0 | 4 | 5.9 | Clc1ccc(C2=NN3C(C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL215024 | 80567 | 13 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 443 | 3 | 0 | 4 | 5.9 | Clc1ccc(C2=NN3C(C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
71528205 | 86941 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 368 | 5 | 1 | 4 | 2.2 | CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
CHEMBL2323580 | 86941 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 368 | 5 | 1 | 4 | 2.2 | CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
145963830 | 164099 | 0 | None | 3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 335 | 4 | 2 | 4 | 4.0 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(c2ccccc2)S1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4209942 | 164099 | 0 | None | 3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 335 | 4 | 2 | 4 | 4.0 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(c2ccccc2)S1 | 10.1021/acs.jnatprod.7b00317 | ||
127035065 | 136475 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1 | 10.1039/C4MD00418C | ||
CHEMBL3736207 | 136475 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1 | 10.1039/C4MD00418C | ||
44565606 | 179216 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472789 | 179216 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
73389570 | 161978 | 38 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 378 | 5 | 2 | 4 | 2.5 | Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F | 10.1021/acs.jmedchem.8b00654 | ||
CHEMBL4159471 | 161978 | 38 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 378 | 5 | 2 | 4 | 2.5 | Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F | 10.1021/acs.jmedchem.8b00654 | ||
2884131 | 166884 | 7 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 275 | 1 | 3 | 5 | 2.2 | NC1=NC2(CCCCC2)NC(Nc2cccc(F)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4286420 | 166884 | 7 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 275 | 1 | 3 | 5 | 2.2 | NC1=NC2(CCCCC2)NC(Nc2cccc(F)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
44155107 | 8047 | 4 | None | -60 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 3 | 0 | 6 | 3.2 | CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
CHEMBL1091207 | 8047 | 4 | None | -60 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 3 | 0 | 6 | 3.2 | CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
4297073 | 81272 | 7 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 348 | 2 | 0 | 5 | 3.4 | CCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL215883 | 81272 | 7 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 348 | 2 | 0 | 5 | 3.4 | CCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
46933845 | 16130 | 0 | None | -18 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224034 | 16130 | 0 | None | -18 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
135753059 | 190694 | 5 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 351 | 4 | 2 | 5 | 2.7 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C)c(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
CHEMBL5182403 | 190694 | 5 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 351 | 4 | 2 | 5 | 2.7 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C)c(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
135753074 | 191084 | 9 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 2.2 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 | 10.1021/acs.jmedchem.1c01759 | ||
CHEMBL5187824 | 191084 | 9 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 2.2 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 | 10.1021/acs.jmedchem.1c01759 | ||
135753056 | 191151 | 2 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 337 | 4 | 2 | 5 | 2.4 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
CHEMBL5188949 | 191151 | 2 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 337 | 4 | 2 | 5 | 2.4 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
156208582 | 192009 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 2.6 | CCc1cccc(C(=O)Nc2cc(C)nn2-c2nc(CC)cc(=O)[nH]2)c1 | 10.1021/acs.jmedchem.1c01759 | ||
CHEMBL5202029 | 192009 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 2.6 | CCc1cccc(C(=O)Nc2cc(C)nn2-c2nc(CC)cc(=O)[nH]2)c1 | 10.1021/acs.jmedchem.1c01759 | ||
3765560 | 141520 | 9 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 411 | 1 | 0 | 4 | 4.4 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Br)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL384745 | 141520 | 9 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 411 | 1 | 0 | 4 | 4.4 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Br)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
4518239 | 81028 | 6 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 477 | 3 | 0 | 5 | 5.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3OC(F)F)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL215404 | 81028 | 6 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 477 | 3 | 0 | 5 | 5.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3OC(F)F)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
879244 | 28168 | 8 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL1373650 | 28168 | 8 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
4322819 | 80394 | 18 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 381 | 2 | 0 | 5 | 3.8 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(F)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL214594 | 80394 | 18 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 381 | 2 | 0 | 5 | 3.8 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(F)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
118464421 | 167268 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(Cl)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4293638 | 167268 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(Cl)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
44247568 | 82145 | 55 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 337 | 5 | 0 | 5 | 3.0 | Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 | 10.1021/jm3007323 | ||
CHEMBL2170062 | 82145 | 55 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 337 | 5 | 0 | 5 | 3.0 | Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 | 10.1021/jm3007323 | ||
44565806 | 180084 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 388 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL474839 | 180084 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 388 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
2267399 | 138316 | 8 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1ccc(NC2=NC(N)=NC3(CCCCC3)N2)cc1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3771373 | 138316 | 8 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1ccc(NC2=NC(N)=NC3(CCCCC3)N2)cc1 | 10.1021/acs.jmedchem.5b01631 | ||
136928971 | 138204 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 343 | 3 | 3 | 7 | 2.5 | CCOC(=O)c1cccc(NC2=NC(NC)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770185 | 138204 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 343 | 3 | 3 | 7 | 2.5 | CCOC(=O)c1cccc(NC2=NC(NC)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
5128094 | 79828 | 18 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 333 | 1 | 0 | 4 | 3.7 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL212228 | 79828 | 18 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 333 | 1 | 0 | 4 | 3.7 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
5167627 | 80033 | 7 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 5.1 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL213006 | 80033 | 7 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 5.1 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44416351 | 80106 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 279 | 1 | 0 | 4 | 3.4 | CC1(C)Oc2ccccc2C2CC(c3ccncc3)=NN21 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL213332 | 80106 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 279 | 1 | 0 | 4 | 3.4 | CC1(C)Oc2ccccc2C2CC(c3ccncc3)=NN21 | 10.1016/j.bmcl.2006.06.068 | ||
3802375 | 80288 | 7 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 453 | 3 | 0 | 4 | 5.5 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(C)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL214184 | 80288 | 7 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 453 | 3 | 0 | 4 | 5.5 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(C)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
4657811 | 80490 | 8 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 1 | 0 | 4 | 5.6 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc4ccccc4c3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL214802 | 80490 | 8 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 1 | 0 | 4 | 5.6 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc4ccccc4c3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
5165122 | 81022 | 20 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC32CCN(C)CC2)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL215386 | 81022 | 20 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC32CCN(C)CC2)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
3757038 | 81444 | 11 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 401 | 1 | 0 | 5 | 4.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccco3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL215991 | 81444 | 11 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 401 | 1 | 0 | 5 | 4.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccco3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
3773677 | 138960 | 6 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1ccccc1C1=NN2C(C1)c1cc(Br)ccc1OC21CCN(C)CC1 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL378540 | 138960 | 6 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1ccccc1C1=NN2C(C1)c1cc(Br)ccc1OC21CCN(C)CC1 | 10.1016/j.bmcl.2006.06.068 | ||
3410378 | 141437 | 7 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 417 | 1 | 0 | 5 | 4.5 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3cccs3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL384270 | 141437 | 7 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 417 | 1 | 0 | 5 | 4.5 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3cccs3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
4679720 | 165953 | 6 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 471 | 3 | 0 | 6 | 4.4 | COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC32CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL425260 | 165953 | 6 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 471 | 3 | 0 | 6 | 4.4 | COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC32CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2006.06.068 | ||
4148445 | 138276 | 9 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2ccc(Cl)cc2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770873 | 138276 | 9 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2ccc(Cl)cc2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
3391669 | 141816 | 7 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 479 | 1 | 0 | 4 | 5.7 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Cl)c(Cl)c3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL386459 | 141816 | 7 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 479 | 1 | 0 | 4 | 5.7 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Cl)c(Cl)c3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44565607 | 189541 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 5 | 1 | 5 | 4.4 | CCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL514453 | 189541 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 5 | 1 | 5 | 4.4 | CCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565848 | 179270 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 381 | 5 | 1 | 3 | 3.7 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473234 | 179270 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 381 | 5 | 1 | 3 | 3.7 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565826 | 179172 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.2 | O=C(C1CCC(c2ccccc2)CC1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472414 | 179172 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.2 | O=C(C1CCC(c2ccccc2)CC1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44476436 | 82318 | 6 | None | -7413 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 357 | 3 | 1 | 7 | 1.6 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CN(C)CC3 | 10.1016/j.bmcl.2012.05.036 | ||
CHEMBL2172186 | 82318 | 6 | None | -7413 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 357 | 3 | 1 | 7 | 1.6 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CN(C)CC3 | 10.1016/j.bmcl.2012.05.036 | ||
162674022 | 183197 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4796102 | 183197 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
127037059 | 136512 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 445 | 11 | 0 | 5 | 5.6 | COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3736516 | 136512 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 445 | 11 | 0 | 5 | 5.6 | COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
10449757 | 3469 | 35 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
190 | 3469 | 35 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL2110371 | 3469 | 35 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
44565639 | 179293 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 367 | 4 | 1 | 2 | 5.6 | c1ccc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473387 | 179293 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 367 | 4 | 1 | 2 | 5.6 | c1ccc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
44565640 | 189481 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL513993 | 189481 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44138039 | 179265 | 10 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 363 | 4 | 1 | 2 | 4.3 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473185 | 179265 | 10 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 363 | 4 | 1 | 2 | 4.3 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565605 | 189669 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL515422 | 189669 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565639 | 179293 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 367 | 4 | 1 | 2 | 5.6 | c1ccc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473387 | 179293 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 367 | 4 | 1 | 2 | 5.6 | c1ccc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
145989393 | 167199 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 353 | 1 | 3 | 5 | 2.9 | NC1=NC2(CCCCC2)NC(Nc2cc(F)cc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4292168 | 167199 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 353 | 1 | 3 | 5 | 2.9 | NC1=NC2(CCCCC2)NC(Nc2cc(F)cc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
3473601 | 140104 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 367 | 1 | 0 | 4 | 4.3 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL380167 | 140104 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 367 | 1 | 0 | 4 | 4.3 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44565830 | 179698 | 2 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 331 | 3 | 1 | 2 | 4.1 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL474404 | 179698 | 2 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 331 | 3 | 1 | 2 | 4.1 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
57495353 | 125014 | 38 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 450 | 5 | 1 | 7 | 2.9 | CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1 | 10.1021/acsmedchemlett.7b00293 | ||
CHEMBL3643413 | 125014 | 38 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 450 | 5 | 1 | 7 | 2.9 | CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1 | 10.1021/acsmedchemlett.7b00293 | ||
3400827 | 79884 | 11 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 517 | 3 | 0 | 4 | 6.0 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Br)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL212457 | 79884 | 11 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 517 | 3 | 0 | 4 | 6.0 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Br)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
127035062 | 136426 | 0 | None | 6 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735756 | 136426 | 0 | None | 6 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
127035066 | 136396 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 507 | 14 | 0 | 7 | 5.2 | COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
CHEMBL3735434 | 136396 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 507 | 14 | 0 | 7 | 5.2 | COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
44565828 | 179174 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 395 | 3 | 0 | 3 | 5.3 | Cn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc21 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL472416 | 179174 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 395 | 3 | 0 | 3 | 5.3 | Cn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc21 | 10.1016/j.bmcl.2009.02.126 | ||
145964159 | 164305 | 0 | None | 8 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 273 | 3 | 2 | 4 | 2.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4212435 | 164305 | 0 | None | 8 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 273 | 3 | 2 | 4 | 2.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
44565638 | 189605 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 417 | 4 | 1 | 3 | 4.8 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL514934 | 189605 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 417 | 4 | 1 | 3 | 4.8 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
3499360 | 141495 | 7 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 445 | 1 | 0 | 4 | 5.1 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL384579 | 141495 | 7 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 445 | 1 | 0 | 4 | 5.1 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
104697662 | 145380 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 293 | 3 | 2 | 4 | 3.3 | Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3914002 | 145380 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 293 | 3 | 2 | 4 | 3.3 | Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1 | 10.1021/acs.jmedchem.6b01183 | ||
11536299 | 183262 | 8 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 266 | 3 | 1 | 3 | 3.3 | O=c1cc(CCc2ccccc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2014.02.029 | ||
CHEMBL479683 | 183262 | 8 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 266 | 3 | 1 | 3 | 3.3 | O=c1cc(CCc2ccccc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2014.02.029 | ||
109052212 | 162523 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 340 | 4 | 2 | 2 | 4.1 | O=C(Nc1ccc(F)cc1)c1cccc(C(=O)NC2CCCCC2)c1 | 10.1021/acs.jmedchem.8b00654 | ||
CHEMBL4168125 | 162523 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 340 | 4 | 2 | 2 | 4.1 | O=C(Nc1ccc(F)cc1)c1cccc(C(=O)NC2CCCCC2)c1 | 10.1021/acs.jmedchem.8b00654 | ||
44565607 | 189541 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 427 | 5 | 1 | 5 | 4.4 | CCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL514453 | 189541 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 427 | 5 | 1 | 5 | 4.4 | CCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
3442850 | 169537 | 20 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 411 | 1 | 0 | 4 | 4.4 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL443570 | 169537 | 20 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 411 | 1 | 0 | 4 | 4.4 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
4895014 | 79971 | 7 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 334 | 1 | 0 | 5 | 3.0 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
CHEMBL212780 | 79971 | 7 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 334 | 1 | 0 | 5 | 3.0 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
44565824 | 179269 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 465 | 4 | 1 | 3 | 6.1 | O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473214 | 179269 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 465 | 4 | 1 | 3 | 6.1 | O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
44565848 | 179270 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 381 | 5 | 1 | 3 | 3.7 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
CHEMBL473234 | 179270 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 381 | 5 | 1 | 3 | 3.7 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
12611598 | 60407 | 6 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(O)c(CC(C)N)c1 | 10.1021/jm00183a006 | ||
CHEMBL175205 | 60407 | 6 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(O)c(CC(C)N)c1 | 10.1021/jm00183a006 | ||
221 | 3465 | 71 | None | - | 3 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 10.1021/jm00006a001 | ||
3277600 | 3465 | 71 | None | - | 3 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 10.1021/jm00006a001 | ||
CHEMBL323356 | 3465 | 71 | None | - | 3 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 10.1021/jm00006a001 | ||
44385952 | 62178 | 5 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(C)c(O)cc1CC(C)N | 10.1021/jm00183a006 | ||
CHEMBL177800 | 62178 | 5 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(C)c(O)cc1CC(C)N | 10.1021/jm00183a006 | ||
135398737 | 955 | 93 | None | - | 43 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0009890 | ||
38 | 955 | 93 | None | - | 43 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0009890 | ||
722 | 955 | 93 | None | - | 43 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0009890 | ||
CHEMBL42 | 955 | 93 | None | - | 43 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0009890 | ||
DB00363 | 955 | 93 | None | - | 43 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0009890 | ||
10022745 | 119943 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 381 | 5 | 1 | 4 | 3.5 | CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2 | 10.1021/jm011014y | ||
CHEMBL349832 | 119943 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 381 | 5 | 1 | 4 | 3.5 | CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2 | 10.1021/jm011014y | ||
44327167 | 9346 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 371 | 4 | 0 | 4 | 4.2 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
CHEMBL111393 | 9346 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 371 | 4 | 0 | 4 | 4.2 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
CHEMBL544319 | 9346 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 371 | 4 | 0 | 4 | 4.2 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
12611606 | 60348 | 9 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)cc1O | 10.1021/jm00183a006 | ||
CHEMBL174723 | 60348 | 9 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)cc1O | 10.1021/jm00183a006 | ||
12611609 | 60406 | 6 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1ccc(O)c(CCN)c1 | 10.1021/jm00183a006 | ||
CHEMBL175204 | 60406 | 6 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1ccc(O)c(CCN)c1 | 10.1021/jm00183a006 | ||
12611617 | 60325 | 3 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 195 | 4 | 1 | 3 | 1.5 | COc1ccc(O)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
CHEMBL174563 | 60325 | 3 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 195 | 4 | 1 | 3 | 1.5 | COc1ccc(O)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
12611598 | 60407 | 6 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(O)c(CC(C)N)c1 | 10.1021/jm00183a006 | ||
CHEMBL175205 | 60407 | 6 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(O)c(CC(C)N)c1 | 10.1021/jm00183a006 | ||
10356829 | 59661 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 289 | 2 | 2 | 4 | 4.3 | Cc1cc(NC(=O)Nc2ccc3sccc3c2)sn1 | 10.1021/jm00006a001 | ||
CHEMBL172269 | 59661 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 289 | 2 | 2 | 4 | 4.3 | Cc1cc(NC(=O)Nc2ccc3sccc3c2)sn1 | 10.1021/jm00006a001 | ||
10693836 | 9305 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 428 | 8 | 0 | 5 | 4.3 | O=C(CCCN1CCN(CCC2CCc3sccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
CHEMBL111189 | 9305 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 428 | 8 | 0 | 5 | 4.3 | O=C(CCCN1CCN(CCC2CCc3sccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
CHEMBL545488 | 9305 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 428 | 8 | 0 | 5 | 4.3 | O=C(CCCN1CCN(CCC2CCc3sccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
10715378 | 15486 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 389 | 4 | 1 | 4 | 3.7 | COc1ccccc1N1CCN(CC2CC(=O)c3c([nH]c4ccccc34)C2)CC1 | 10.1021/jm011014y | ||
CHEMBL121744 | 15486 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 389 | 4 | 1 | 4 | 3.7 | COc1ccccc1N1CCN(CC2CC(=O)c3c([nH]c4ccccc34)C2)CC1 | 10.1021/jm011014y | ||
9979654 | 207896 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 422 | 8 | 0 | 4 | 4.2 | O=C(CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
CHEMBL96781 | 207896 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 422 | 8 | 0 | 4 | 4.2 | O=C(CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
12611613 | 60430 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1ccc(O)c(CC(C)N(C)C)c1 | 10.1021/jm00183a006 | ||
CHEMBL175328 | 60430 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1ccc(O)c(CC(C)N(C)C)c1 | 10.1021/jm00183a006 | ||
10473483 | 8618 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 356 | 4 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1 | 10.1021/jm011014y | ||
CHEMBL109528 | 8618 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 356 | 4 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1 | 10.1021/jm011014y | ||
CHEMBL544318 | 8618 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 356 | 4 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1 | 10.1021/jm011014y | ||
135398737 | 955 | 93 | None | - | 43 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm011014y | ||
38 | 955 | 93 | None | - | 43 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm011014y | ||
722 | 955 | 93 | None | - | 43 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm011014y | ||
CHEMBL42 | 955 | 93 | None | - | 43 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm011014y | ||
DB00363 | 955 | 93 | None | - | 43 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm011014y | ||
10710246 | 121101 | 0 | None | - | 0 | Rat | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 312 | 3 | 0 | 6 | 1.6 | O=C1CC(CN2CCN(c3ncccn3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
CHEMBL357517 | 121101 | 0 | None | - | 0 | Rat | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 312 | 3 | 0 | 6 | 1.6 | O=C1CC(CN2CCN(c3ncccn3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
10338282 | 34657 | 1 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 355 | 4 | 0 | 4 | 3.8 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
CHEMBL143022 | 34657 | 1 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 355 | 4 | 0 | 4 | 3.8 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
10338282 | 34657 | 1 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 355 | 4 | 0 | 4 | 3.8 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
CHEMBL143022 | 34657 | 1 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 355 | 4 | 0 | 4 | 3.8 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
11760018 | 53335 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 354 | 5 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCC2CCc3occc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL160019 | 53335 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 354 | 5 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCC2CCc3occc3C2=O)CC1 | 10.1021/jm011014y | ||
44326982 | 8627 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 351 | 4 | 0 | 3 | 4.1 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 | 10.1021/jm011014y | ||
CHEMBL109548 | 8627 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 351 | 4 | 0 | 3 | 4.1 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 | 10.1021/jm011014y | ||
CHEMBL545727 | 8627 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 351 | 4 | 0 | 3 | 4.1 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 | 10.1021/jm011014y | ||
10090486 | 53242 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 369 | 5 | 0 | 4 | 4.1 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3occc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL159929 | 53242 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 369 | 5 | 0 | 4 | 4.1 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3occc3C2=O)CC1 | 10.1021/jm011014y | ||
10090424 | 34667 | 1 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 3 | 0 | 5 | 4.2 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
CHEMBL143027 | 34667 | 1 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 3 | 0 | 5 | 4.2 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
10090424 | 34667 | 1 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 3 | 0 | 5 | 4.2 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21 | 10.1021/jm011014y | ||
CHEMBL143027 | 34667 | 1 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 3 | 0 | 5 | 4.2 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21 | 10.1021/jm011014y | ||
12611604 | 60417 | 4 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)c(O)c1 | 10.1021/jm00183a006 | ||
CHEMBL175272 | 60417 | 4 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)c(O)c1 | 10.1021/jm00183a006 | ||
10645469 | 110530 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 414 | 7 | 0 | 5 | 3.9 | O=C(CCCN1CCN(CC2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
CHEMBL325253 | 110530 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 414 | 7 | 0 | 5 | 3.9 | O=C(CCCN1CCN(CC2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
CHEMBL542428 | 110530 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 414 | 7 | 0 | 5 | 3.9 | O=C(CCCN1CCN(CC2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
12611615 | 60305 | 1 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 285 | 7 | 0 | 3 | 3.4 | COc1ccc(OCc2ccccc2)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
CHEMBL174449 | 60305 | 1 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 285 | 7 | 0 | 3 | 3.4 | COc1ccc(OCc2ccccc2)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
12611617 | 60325 | 3 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 195 | 4 | 1 | 3 | 1.5 | COc1ccc(O)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
CHEMBL174563 | 60325 | 3 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 195 | 4 | 1 | 3 | 1.5 | COc1ccc(O)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
10024430 | 207590 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 408 | 8 | 0 | 4 | 3.9 | O=C(CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
CHEMBL95098 | 207590 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 408 | 8 | 0 | 4 | 3.9 | O=C(CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
12611613 | 60430 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1ccc(O)c(CC(C)N(C)C)c1 | 10.1021/jm00183a006 | ||
CHEMBL175328 | 60430 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1ccc(O)c(CC(C)N(C)C)c1 | 10.1021/jm00183a006 | ||
44327153 | 109183 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccsc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL321682 | 109183 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccsc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL558817 | 109183 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccsc3C2=O)CC1 | 10.1021/jm011014y | ||
10804995 | 35551 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.2 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
CHEMBL143937 | 35551 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.2 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
10804995 | 35551 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.2 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
CHEMBL143937 | 35551 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.2 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
197139 | 25040 | 26 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1cc(CC(C)N)ccc1O | 10.1021/jm00183a006 | ||
CHEMBL1347 | 25040 | 26 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1cc(CC(C)N)ccc1O | 10.1021/jm00183a006 | ||
12611606 | 60348 | 9 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)cc1O | 10.1021/jm00183a006 | ||
CHEMBL174723 | 60348 | 9 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)cc1O | 10.1021/jm00183a006 | ||
12611596 | 60274 | 6 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(CC(C)N)c(O)cc1C | 10.1021/jm00183a006 | ||
CHEMBL174380 | 60274 | 6 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(CC(C)N)c(O)cc1C | 10.1021/jm00183a006 | ||
12611615 | 60305 | 1 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 285 | 7 | 0 | 3 | 3.4 | COc1ccc(OCc2ccccc2)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
CHEMBL174449 | 60305 | 1 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 285 | 7 | 0 | 3 | 3.4 | COc1ccc(OCc2ccccc2)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
9951008 | 206374 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 365 | 5 | 0 | 3 | 4.2 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL87717 | 206374 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 365 | 5 | 0 | 3 | 4.2 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
126769 | 206019 | 42 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00006a001 | ||
CHEMBL536255 | 206019 | 42 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00006a001 | ||
CHEMBL85194 | 206019 | 42 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00006a001 | ||
9930475 | 206267 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 393 | 5 | 0 | 3 | 4.9 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL87026 | 206267 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 393 | 5 | 0 | 3 | 4.9 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
10597019 | 34237 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 398 | 7 | 0 | 5 | 3.4 | O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm0009890 | ||
CHEMBL142668 | 34237 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 398 | 7 | 0 | 5 | 3.4 | O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm0009890 | ||
10597019 | 34237 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 398 | 7 | 0 | 5 | 3.4 | O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
CHEMBL142668 | 34237 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 398 | 7 | 0 | 5 | 3.4 | O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
10249506 | 8773 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL109673 | 8773 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL544091 | 8773 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
11141324 | 53063 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 307 | 3 | 0 | 4 | 2.6 | O=C1CC(CN2CCN(c3ccccn3)CC2)c2ccccc21 | 10.1021/jm011014y | ||
CHEMBL159771 | 53063 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 307 | 3 | 0 | 4 | 2.6 | O=C1CC(CN2CCN(c3ccccn3)CC2)c2ccccc21 | 10.1021/jm011014y | ||
9866660 | 114395 | 2 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 417 | 3 | 1 | 4 | 5.1 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]c3ccccc3c21 | 10.1021/jm011014y | ||
CHEMBL333174 | 114395 | 2 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 417 | 3 | 1 | 4 | 5.1 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]c3ccccc3c21 | 10.1021/jm011014y | ||
10061837 | 120714 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 273 | 2 | 2 | 4 | 3.8 | Cc1cc(NC(=O)Nc2ccc3sccc3c2)on1 | 10.1021/jm00006a001 | ||
CHEMBL354951 | 120714 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 273 | 2 | 2 | 4 | 3.8 | Cc1cc(NC(=O)Nc2ccc3sccc3c2)on1 | 10.1021/jm00006a001 | ||
10022781 | 57024 | 0 | None | - | 0 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.6 | O=C1c2ccoc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1 | 10.1021/jm011014y | ||
CHEMBL164471 | 57024 | 0 | None | - | 0 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.6 | O=C1c2ccoc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1 | 10.1021/jm011014y | ||
44326751 | 108588 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 384 | 3 | 0 | 5 | 4.7 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
CHEMBL320572 | 108588 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 384 | 3 | 0 | 5 | 4.7 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
CHEMBL539544 | 108588 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 384 | 3 | 0 | 5 | 4.7 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
10693017 | 33807 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 412 | 8 | 0 | 5 | 3.8 | O=C(CCCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm0009890 | ||
CHEMBL142316 | 33807 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 412 | 8 | 0 | 5 | 3.8 | O=C(CCCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm0009890 | ||
10367486 | 9262 | 1 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 398 | 4 | 0 | 5 | 5.0 | O=C1c2ccsc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1 | 10.1021/jm011014y | ||
CHEMBL110948 | 9262 | 1 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 398 | 4 | 0 | 5 | 5.0 | O=C1c2ccsc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1 | 10.1021/jm011014y | ||
CHEMBL543613 | 9262 | 1 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 398 | 4 | 0 | 5 | 5.0 | O=C1c2ccsc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1 | 10.1021/jm011014y | ||
10693017 | 33807 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 412 | 8 | 0 | 5 | 3.8 | O=C(CCCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
CHEMBL142316 | 33807 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 412 | 8 | 0 | 5 | 3.8 | O=C(CCCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
10069784 | 14951 | 1 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 404 | 4 | 1 | 3 | 4.6 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21 | 10.1021/jm011014y | ||
CHEMBL120903 | 14951 | 1 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 404 | 4 | 1 | 3 | 4.6 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21 | 10.1021/jm011014y | ||
15021876 | 103383 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 365 | 4 | 0 | 3 | 4.2 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc21 | 10.1021/jm011014y | ||
CHEMBL308480 | 103383 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 365 | 4 | 0 | 3 | 4.2 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc21 | 10.1021/jm011014y | ||
10809188 | 9243 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 370 | 5 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL110847 | 9243 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 370 | 5 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL540822 | 9243 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 370 | 5 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
10497359 | 121711 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1 | 10.1021/jm0009890 | ||
CHEMBL358895 | 121711 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1 | 10.1021/jm0009890 | ||
10497359 | 121711 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1 | 10.1021/jm011014y | ||
CHEMBL358895 | 121711 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1 | 10.1021/jm011014y | ||
197139 | 25040 | 26 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1cc(CC(C)N)ccc1O | 10.1021/jm00183a006 | ||
CHEMBL1347 | 25040 | 26 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1cc(CC(C)N)ccc1O | 10.1021/jm00183a006 | ||
11023903 | 52725 | 0 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 2.7 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
CHEMBL159466 | 52725 | 0 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 2.7 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
10015954 | 165215 | 1 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 270 | 2 | 2 | 4 | 3.1 | Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)on1 | 10.1021/jm00006a001 | ||
CHEMBL422923 | 165215 | 1 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 270 | 2 | 2 | 4 | 3.1 | Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)on1 | 10.1021/jm00006a001 | ||
9886130 | 206407 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 379 | 5 | 0 | 3 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL87943 | 206407 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 379 | 5 | 0 | 3 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
10622347 | 54374 | 0 | None | - | 0 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 426 | 8 | 0 | 4 | 4.0 | O=C(CCCN1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
CHEMBL160907 | 54374 | 0 | None | - | 0 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 426 | 8 | 0 | 4 | 4.0 | O=C(CCCN1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
10044334 | 207098 | 18 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 364 | 5 | 0 | 4 | 3.7 | COc1ccccc1N1CCN(CCC2CCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL92145 | 207098 | 18 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 364 | 5 | 0 | 4 | 3.7 | COc1ccccc1N1CCN(CCC2CCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
12611596 | 60274 | 6 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(CC(C)N)c(O)cc1C | 10.1021/jm00183a006 | ||
CHEMBL174380 | 60274 | 6 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(CC(C)N)c(O)cc1C | 10.1021/jm00183a006 | ||
44385952 | 62178 | 5 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(C)c(O)cc1CC(C)N | 10.1021/jm00183a006 | ||
CHEMBL177800 | 62178 | 5 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(C)c(O)cc1CC(C)N | 10.1021/jm00183a006 | ||
9951964 | 206335 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 383 | 5 | 0 | 3 | 4.3 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL87458 | 206335 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 383 | 5 | 0 | 3 | 4.3 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1 | 10.1021/jm011014y | ||
12611609 | 60406 | 6 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1ccc(O)c(CCN)c1 | 10.1021/jm00183a006 | ||
CHEMBL175204 | 60406 | 6 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1ccc(O)c(CCN)c1 | 10.1021/jm00183a006 | ||
2148 | 3859 | 114 | None | - | 6 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
2150 | 3859 | 114 | None | - | 6 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
2784 | 3859 | 114 | None | - | 6 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
5610 | 3859 | 114 | None | - | 6 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
CHEMBL11608 | 3859 | 114 | None | - | 6 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
DB08841 | 3859 | 114 | None | - | 6 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
10022123 | 53286 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 371 | 5 | 0 | 4 | 4.2 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL159969 | 53286 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 371 | 5 | 0 | 4 | 4.2 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
CHEMBL92673 | 53286 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 371 | 5 | 0 | 4 | 4.2 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
10544858 | 170004 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 336 | 4 | 0 | 4 | 3.2 | COc1ccccc1N1CCN(CC2CC(=O)c3ccccc32)CC1 | 10.1021/jm011014y | ||
CHEMBL444269 | 170004 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 336 | 4 | 0 | 4 | 3.2 | COc1ccccc1N1CCN(CC2CC(=O)c3ccccc32)CC1 | 10.1021/jm011014y | ||
CHEMBL542181 | 170004 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 336 | 4 | 0 | 4 | 3.2 | COc1ccccc1N1CCN(CC2CC(=O)c3ccccc32)CC1 | 10.1021/jm011014y | ||
11121409 | 56372 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 341 | 4 | 0 | 5 | 3.1 | O=C1c2ccsc2CCC1CCN1CCN(c2ccccn2)CC1 | 10.1021/jm011014y | ||
CHEMBL163180 | 56372 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 341 | 4 | 0 | 5 | 3.1 | O=C1c2ccsc2CCC1CCN1CCN(c2ccccn2)CC1 | 10.1021/jm011014y | ||
10710246 | 121101 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 312 | 3 | 0 | 6 | 1.6 | O=C1CC(CN2CCN(c3ncccn3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
CHEMBL357517 | 121101 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 312 | 3 | 0 | 6 | 1.6 | O=C1CC(CN2CCN(c3ncccn3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
10017554 | 4309 | 29 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm960199j | ||
CHEMBL101008 | 4309 | 29 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm960199j | ||
10017554 | 4309 | 29 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm960199j | ||
CHEMBL101008 | 4309 | 29 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm960199j | ||
134143752 | 150625 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3955519 | 150625 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
49836525 | 18775 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | CC1(C(=O)O)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
CHEMBL1278202 | 18775 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | CC1(C(=O)O)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
49836524 | 18774 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 361 | 2 | 1 | 2 | 4.0 | O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
CHEMBL1278201 | 18774 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 361 | 2 | 1 | 2 | 4.0 | O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
46933091 | 15731 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 400 | 4 | 1 | 5 | 3.1 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(Cl)nc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222695 | 15731 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 400 | 4 | 1 | 5 | 3.1 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(Cl)nc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
49836526 | 18616 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 375 | 3 | 1 | 2 | 4.4 | O=C(O)CC1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
CHEMBL1276859 | 18616 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 375 | 3 | 1 | 2 | 4.4 | O=C(O)CC1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
49836411 | 18693 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 389 | 3 | 1 | 2 | 4.8 | O=C(O)CC1CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
CHEMBL1277585 | 18693 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 389 | 3 | 1 | 2 | 4.8 | O=C(O)CC1CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
44516817 | 57633 | 5 | None | -1023 | 2 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 316 | 3 | 1 | 6 | 2.2 | CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2011.01.038 | ||
CHEMBL1668584 | 57633 | 5 | None | -1023 | 2 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 316 | 3 | 1 | 6 | 2.2 | CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2011.01.038 | ||
185 | 3975 | 60 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10.1021/jm100856p | ||
5311271 | 3975 | 60 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10.1021/jm100856p | ||
CHEMBL74355 | 3975 | 60 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10.1021/jm100856p | ||
DB16351 | 3975 | 60 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10.1021/jm100856p | ||
49836412 | 18692 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | O=C(O)[C@@H]1CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
CHEMBL1277584 | 18692 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | O=C(O)[C@@H]1CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
49836294 | 18747 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 387 | 2 | 0 | 3 | 4.4 | COC(=O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
CHEMBL1278020 | 18747 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 387 | 2 | 0 | 3 | 4.4 | COC(=O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
49836522 | 18763 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 376 | 2 | 2 | 3 | 3.0 | O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1 | 10.1021/jm100856p | ||
CHEMBL1278113 | 18763 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 376 | 2 | 2 | 3 | 3.0 | O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1 | 10.1021/jm100856p | ||
52944115 | 18766 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 291 | 1 | 0 | 1 | 4.2 | CN(C)C1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1 | 10.1021/jm100856p | ||
CHEMBL1278116 | 18766 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 291 | 1 | 0 | 1 | 4.2 | CN(C)C1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1 | 10.1021/jm100856p | ||
49833883 | 15729 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 394 | 4 | 1 | 5 | 3.1 | Cc1nc2n(c1C)Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222693 | 15729 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 394 | 4 | 1 | 5 | 3.1 | Cc1nc2n(c1C)Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
44156754 | 6478 | 4 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.5 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1021/jm100350r | ||
CHEMBL1082763 | 6478 | 4 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.5 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1021/jm100350r | ||
49836299 | 18712 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
CHEMBL1277770 | 18712 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
49833886 | 15746 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 396 | 5 | 1 | 6 | 2.5 | COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222764 | 15746 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 396 | 5 | 1 | 6 | 2.5 | COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
49836639 | 18652 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 377 | 2 | 1 | 3 | 4.6 | O=C(O)C1CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
CHEMBL1277216 | 18652 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 377 | 2 | 1 | 3 | 4.6 | O=C(O)C1CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
46933089 | 15701 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 366 | 4 | 1 | 5 | 2.5 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222554 | 15701 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 366 | 4 | 1 | 5 | 2.5 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
46867519 | 6476 | 4 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.5 | CNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1021/jm100350r | ||
CHEMBL1082761 | 6476 | 4 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.5 | CNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1021/jm100350r | ||
44156752 | 6548 | 4 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.4 | CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1021/jm100350r | ||
CHEMBL1083075 | 6548 | 4 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.4 | CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1021/jm100350r | ||
10609802 | 107165 | 2 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 235 | 3 | 1 | 4 | 1.1 | COc1c2c(c(CCN)c3c1OCC3)CCO2 | 10.1021/jm970219x | ||
CHEMBL316527 | 107165 | 2 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 235 | 3 | 1 | 4 | 1.1 | COc1c2c(c(CCN)c3c1OCC3)CCO2 | 10.1021/jm970219x | ||
155531067 | 171595 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
CHEMBL4465512 | 171595 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
134141831 | 146662 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 405 | 6 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3923870 | 146662 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 405 | 6 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
49833882 | 15728 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 3.0 | O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222692 | 15728 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 3.0 | O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
46933090 | 15744 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 400 | 4 | 1 | 5 | 3.1 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3c(Cl)cnc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222762 | 15744 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 400 | 4 | 1 | 5 | 3.1 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3c(Cl)cnc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
49836635 | 18635 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 359 | 2 | 1 | 2 | 4.0 | O=C(O)C=C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
CHEMBL1277035 | 18635 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 359 | 2 | 1 | 2 | 4.0 | O=C(O)C=C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
49836409 | 18704 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 391 | 2 | 2 | 3 | 3.5 | O=C(O)C1(O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
CHEMBL1277679 | 18704 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 391 | 2 | 2 | 3 | 3.5 | O=C(O)C1(O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
49836300 | 18711 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 389 | 2 | 1 | 2 | 4.8 | CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
CHEMBL1277769 | 18711 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 389 | 2 | 1 | 2 | 4.8 | CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
134154065 | 152337 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 433 | 6 | 3 | 9 | 1.5 | COC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3970041 | 152337 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 433 | 6 | 3 | 9 | 1.5 | COC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
11957541 | 1446 | 40 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
1229 | 1446 | 40 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
147 | 1446 | 40 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
170617 | 1446 | 40 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
CHEMBL6616 | 1446 | 40 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
10609802 | 107165 | 2 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 235 | 3 | 1 | 4 | 1.1 | COc1c2c(c(CCN)c3c1OCC3)CCO2 | 10.1021/jm970219x | ||
CHEMBL316527 | 107165 | 2 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 235 | 3 | 1 | 4 | 1.1 | COc1c2c(c(CCN)c3c1OCC3)CCO2 | 10.1021/jm970219x | ||
1530 | 2169 | 50 | None | -3 | 25 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1021/jm100856p | ||
3827 | 2169 | 50 | None | -3 | 25 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1021/jm100856p | ||
7206 | 2169 | 50 | None | -3 | 25 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1021/jm100856p | ||
CHEMBL534 | 2169 | 50 | None | -3 | 25 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1021/jm100856p | ||
DB00920 | 2169 | 50 | None | -3 | 25 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1021/jm100856p | ||
10440 | 2662 | 20 | None | - | 3 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
139030523 | 2662 | 20 | None | - | 3 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
CHEMBL4449712 | 2662 | 20 | None | - | 3 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
10751567 | 4507 | 3 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1cc(CCN)c2c(c1OC)OCC2 | 10.1021/jm970219x | ||
CHEMBL102347 | 4507 | 3 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1cc(CCN)c2c(c1OC)OCC2 | 10.1021/jm970219x | ||
49864841 | 15699 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 266 | 1 | 1 | 4 | 1.6 | C1=C(N2CCNCC2)c2nccn2Cc2ccccc21 | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222552 | 15699 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 266 | 1 | 1 | 4 | 1.6 | C1=C(N2CCNCC2)c2nccn2Cc2ccccc21 | 10.1016/j.bmcl.2010.07.029 | ||
49834053 | 15745 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 384 | 4 | 1 | 5 | 2.6 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(F)nc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222763 | 15745 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 384 | 4 | 1 | 5 | 2.6 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(F)nc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
49836634 | 18634 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 361 | 3 | 1 | 2 | 4.0 | O=C(O)CC1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
CHEMBL1277034 | 18634 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 361 | 3 | 1 | 2 | 4.0 | O=C(O)CC1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
49833882 | 15728 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 3.0 | O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222692 | 15728 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 3.0 | O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
25110703 | 189696 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 360 | 2 | 1 | 4 | 3.2 | O=S(=O)(c1ccccc1)n1cc(Cl)c2cc3c(cc21)CCNCC3 | 10.1016/j.bmcl.2008.08.010 | ||
CHEMBL515624 | 189696 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 360 | 2 | 1 | 4 | 3.2 | O=S(=O)(c1ccccc1)n1cc(Cl)c2cc3c(cc21)CCNCC3 | 10.1016/j.bmcl.2008.08.010 | ||
49836528 | 18626 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 373 | 2 | 1 | 2 | 4.0 | O=C(O)[C@]12C[C@H]1CN(C1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2 | 10.1021/jm100856p | ||
CHEMBL1276947 | 18626 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 373 | 2 | 1 | 2 | 4.0 | O=C(O)[C@]12C[C@H]1CN(C1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2 | 10.1021/jm100856p | ||
134152052 | 153059 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3976121 | 153059 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
44156628 | 6682 | 4 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 328 | 3 | 1 | 6 | 2.1 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1021/jm100350r | ||
CHEMBL1083654 | 6682 | 4 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 328 | 3 | 1 | 6 | 2.1 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1021/jm100350r | ||
10751567 | 4507 | 3 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1cc(CCN)c2c(c1OC)OCC2 | 10.1021/jm970219x | ||
CHEMBL102347 | 4507 | 3 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1cc(CCN)c2c(c1OC)OCC2 | 10.1021/jm970219x | ||
38240 | 107972 | 22 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 225 | 6 | 1 | 4 | 1.6 | CCOc1c(OC)cc(CCN)cc1OC | 10.1021/jm970219x | ||
CHEMBL319415 | 107972 | 22 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 225 | 6 | 1 | 4 | 1.6 | CCOc1c(OC)cc(CCN)cc1OC | 10.1021/jm970219x | ||
49833884 | 15730 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 380 | 4 | 1 | 5 | 2.8 | Cc1cn2c(n1)C(N1CCN(CC(C)(C)C(=O)O)CC1)=Cc1ccccc1C2 | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222694 | 15730 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 380 | 4 | 1 | 5 | 2.8 | Cc1cn2c(n1)C(N1CCN(CC(C)(C)C(=O)O)CC1)=Cc1ccccc1C2 | 10.1016/j.bmcl.2010.07.029 | ||
49864886 | 15713 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 366 | 4 | 1 | 5 | 2.6 | CC1CN(C2=Cc3ccccc3Cn3ccnc32)CC(C)N1CCC(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
CHEMBL1222624 | 15713 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 366 | 4 | 1 | 5 | 2.6 | CC1CN(C2=Cc3ccccc3Cn3ccnc32)CC(C)N1CCC(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
155558626 | 174737 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
CHEMBL4561016 | 174737 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
49836633 | 18627 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 347 | 2 | 1 | 2 | 3.6 | O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
CHEMBL1276948 | 18627 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 347 | 2 | 1 | 2 | 3.6 | O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
25184832 | 18663 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 349 | 2 | 1 | 3 | 3.8 | O=C(O)C1CN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
CHEMBL1277312 | 18663 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 349 | 2 | 1 | 3 | 3.8 | O=C(O)C1CN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
13139 | 2474 | 29 | None | - | 2 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 211 | 5 | 1 | 4 | 1.2 | COC1=CC(=CC(=C1OC)OC)CCN | 10.1021/jm970219x | ||
4076 | 2474 | 29 | None | - | 2 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 211 | 5 | 1 | 4 | 1.2 | COC1=CC(=CC(=C1OC)OC)CCN | 10.1021/jm970219x | ||
CHEMBL26687 | 2474 | 29 | None | - | 2 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 211 | 5 | 1 | 4 | 1.2 | COC1=CC(=CC(=C1OC)OC)CCN | 10.1021/jm970219x | ||
2995 | 204382 | 53 | None | -154 | 18 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL1696 | 204382 | 53 | None | -154 | 18 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL72 | 204382 | 53 | None | -154 | 18 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
1225 | 1459 | 26 | None | -3 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
3958 | 1459 | 26 | None | -3 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
667477 | 1459 | 26 | None | -3 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
CHEMBL860 | 1459 | 26 | None | -3 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
DB01142 | 1459 | 26 | None | -3 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
2105 | 3032 | 37 | None | -3 | 25 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
47811 | 3032 | 37 | None | -3 | 25 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
48 | 3032 | 37 | None | -3 | 25 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
CHEMBL531 | 3032 | 37 | None | -3 | 25 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
DB01186 | 3032 | 37 | None | -3 | 25 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
439280 | 119993 | 107 | None | -25 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | None | ||
6971044 | 119993 | 107 | None | -25 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | None | ||
CHEMBL350221 | 119993 | 107 | None | -25 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | None | ||
11658860 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
2941 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
4374 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
CHEMBL360328 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
DB04871 | 2329 | 51 | None | -35 | 11 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
30699 | 217676 | 0 | None | -1 | 14 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 423 | 7 | 2 | 8 | 0.5 | CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O | None | ||
5215 | 168943 | 102 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 250 | 3 | 2 | 5 | 0.9 | Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | None | ||
CHEMBL439 | 168943 | 102 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 250 | 3 | 2 | 5 | 0.9 | Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | None | ||
4421 | 217689 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 232 | 2 | 1 | 4 | 1.4 | CCN1C=C(C(O)=O)C(=O)C2=CC=C(C)N=C12 | None | ||
14052 | 172554 | 51 | None | 1 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 204 | 9 | 4 | 4 | -0.3 | CC[C@@H](CO)NCCN[C@@H](CC)CO | None | ||
CHEMBL44884 | 172554 | 51 | None | 1 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 204 | 9 | 4 | 4 | -0.3 | CC[C@@H](CO)NCCN[C@@H](CC)CO | None | ||
33613 | 217668 | 0 | None | -1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 365 | 4 | 4 | 6 | 0.0 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(O)=O | None | ||
2337 | 3232 | 77 | None | -11 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3232 | 77 | None | -11 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3232 | 77 | None | -11 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3232 | 77 | None | -11 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3232 | 77 | None | -11 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None |
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
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Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
2585 | 800 | 103 | None | -18 | 22 | Human | 8.0 | pAC50 | = | 8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
522 | 800 | 103 | None | -18 | 22 | Human | 8.0 | pAC50 | = | 8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
551 | 800 | 103 | None | -18 | 22 | Human | 8.0 | pAC50 | = | 8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL723 | 800 | 103 | None | -18 | 22 | Human | 8.0 | pAC50 | = | 8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
DB01136 | 800 | 103 | None | -18 | 22 | Human | 8.0 | pAC50 | = | 8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
1343 | 1876 | 62 | None | -14 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
3519 | 1876 | 62 | None | -14 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
522 | 1876 | 62 | None | -14 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL862 | 1876 | 62 | None | -14 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
DB01018 | 1876 | 62 | None | -14 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
54477 | 84624 | 36 | None | - | 23 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL22242 | 84624 | 36 | None | - | 23 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | 10.1038/s41467-023-40064-9 | ||
43815 | 186896 | 64 | None | -1995 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1708 | 186896 | 64 | None | -1995 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL490 | 186896 | 64 | None | -1995 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
1353 | 1898 | 93 | None | -295 | 86 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
3559 | 1898 | 93 | None | -295 | 86 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
86 | 1898 | 93 | None | -295 | 86 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL54 | 1898 | 93 | None | -295 | 86 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
DB00502 | 1898 | 93 | None | -295 | 86 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
2247 | 504 | 81 | None | -4 | 42 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
249 | 504 | 81 | None | -4 | 42 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
2603 | 504 | 81 | None | -4 | 42 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL296419 | 504 | 81 | None | -4 | 42 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00637 | 504 | 81 | None | -4 | 42 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
4034 | 55792 | 55 | None | - | 1 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1623 | 55792 | 55 | None | - | 1 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
43815 | 186896 | 64 | None | -1995 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1708 | 186896 | 64 | None | -1995 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL490 | 186896 | 64 | None | -1995 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
2435 | 3563 | 83 | None | -2 | 49 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
60149 | 3563 | 83 | None | -2 | 49 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
98 | 3563 | 83 | None | -2 | 49 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL12713 | 3563 | 83 | None | -2 | 49 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
DB06144 | 3563 | 83 | None | -2 | 49 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
1830 | 2572 | 44 | None | - | 28 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
207 | 2572 | 44 | None | - | 28 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
23897 | 2572 | 44 | None | - | 28 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL460 | 2572 | 44 | None | - | 28 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
DB01618 | 2572 | 44 | None | - | 28 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
2393 | 3309 | 82 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
5078 | 3309 | 82 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
51 | 3309 | 82 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL905 | 3309 | 82 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
DB00953 | 3309 | 82 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
1605 | 2327 | 117 | None | -1 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | ||
3957 | 2327 | 117 | None | -1 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | ||
7216 | 2327 | 117 | None | -1 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL998 | 2327 | 117 | None | -1 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | ||
DB00455 | 2327 | 117 | None | -1 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | ||
228 | 444 | 28 | None | -5 | 24 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
33 | 444 | 28 | None | -5 | 24 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
6005 | 444 | 28 | None | -5 | 24 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL53 | 444 | 28 | None | -5 | 24 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
DB00714 | 444 | 28 | None | -5 | 24 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
2865 | 4112 | 73 | None | -12 | 54 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
59 | 4112 | 73 | None | -12 | 54 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
60854 | 4112 | 73 | None | -12 | 54 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL708 | 4112 | 73 | None | -12 | 54 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00246 | 4112 | 73 | None | -12 | 54 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
3547 | 141348 | 71 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL38380 | 141348 | 71 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL541388 | 141348 | 71 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1038/s41467-023-40064-9 | ||
5210 | 33308 | 48 | None | -123 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200765 | 33308 | 48 | None | -123 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1419 | 33308 | 48 | None | -123 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
1343 | 1876 | 62 | None | -14 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
3519 | 1876 | 62 | None | -14 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
522 | 1876 | 62 | None | -14 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL862 | 1876 | 62 | None | -14 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
DB01018 | 1876 | 62 | None | -14 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
2402 | 3345 | 62 | None | -9 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
5095 | 3345 | 62 | None | -9 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
7295 | 3345 | 62 | None | -9 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL589 | 3345 | 62 | None | -9 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
DB00268 | 3345 | 62 | None | -9 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
1201549 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
333 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
7601 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201203 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL438151 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00245 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
4199 | 98817 | 42 | None | - | 1 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL278819 | 98817 | 42 | None | - | 1 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
5311507 | 194792 | 41 | None | - | 1 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 4.2 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL53904 | 194792 | 41 | None | - | 1 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 4.2 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
37 | 775 | 60 | None | 1 | 17 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
460 | 775 | 60 | None | 1 | 17 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
54746 | 775 | 60 | None | 1 | 17 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201087 | 775 | 60 | None | 1 | 17 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
DB00248 | 775 | 60 | None | 1 | 17 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
3158 | 56237 | 27 | None | -389 | 20 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1628227 | 56237 | 27 | None | -389 | 20 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
2543 | 3681 | 68 | None | -2818 | 32 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
5358 | 3681 | 68 | None | -2818 | 32 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
54 | 3681 | 68 | None | -2818 | 32 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL128 | 3681 | 68 | None | -2818 | 32 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
DB00669 | 3681 | 68 | None | -2818 | 32 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
5411 | 204010 | 89 | None | - | 2 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL698 | 204010 | 89 | None | - | 2 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | 10.1038/s41467-023-40064-9 | ||
3658 | 4076 | 53 | None | - | 8 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
517 | 4076 | 53 | None | - | 8 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
5709 | 4076 | 53 | None | - | 8 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL312448 | 4076 | 53 | None | - | 8 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
DB06694 | 4076 | 53 | None | - | 8 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
1400 | 1944 | 70 | None | - | 3 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3658 | 1944 | 70 | None | - | 3 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
7199 | 1944 | 70 | None | - | 3 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
91513 | 1944 | 70 | None | - | 3 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL896 | 1944 | 70 | None | - | 3 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00557 | 1944 | 70 | None | - | 3 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
5329102 | 194703 | 86 | None | - | 0 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL535 | 194703 | 86 | None | - | 0 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
1971 | 2846 | 38 | None | -4 | 30 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2404 | 2846 | 38 | None | -4 | 30 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
4543 | 2846 | 38 | None | -4 | 30 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL445 | 2846 | 38 | None | -4 | 30 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00540 | 2846 | 38 | None | -4 | 30 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
1613 | 2333 | 53 | None | - | 45 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
205 | 2333 | 53 | None | - | 45 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
3964 | 2333 | 53 | None | - | 45 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL831 | 2333 | 53 | None | - | 45 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
DB00408 | 2333 | 53 | None | - | 45 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
2351 | 3261 | 64 | None | -7 | 21 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
2820 | 3261 | 64 | None | -7 | 21 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
5035 | 3261 | 64 | None | -7 | 21 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL81 | 3261 | 64 | None | -7 | 21 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
DB00481 | 3261 | 64 | None | -7 | 21 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
1357 | 2468 | 139 | None | -3890 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
1672 | 2468 | 139 | None | -3890 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
224 | 2468 | 139 | None | -3890 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
896 | 2468 | 139 | None | -3890 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL45 | 2468 | 139 | None | -3890 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
DB01065 | 2468 | 139 | None | -3890 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 10.1038/s41467-023-40064-9 | ||
119570 | 3137 | 96 | None | -7585 | 40 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
2233 | 3137 | 96 | None | -7585 | 40 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
953 | 3137 | 96 | None | -7585 | 40 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL301265 | 3137 | 96 | None | -7585 | 40 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
DB00413 | 3137 | 96 | None | -7585 | 40 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
176 | 397 | 66 | None | -1 | 31 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
2157 | 397 | 66 | None | -1 | 31 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
2566 | 397 | 66 | None | -1 | 31 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL633 | 397 | 66 | None | -1 | 31 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB01118 | 397 | 66 | None | -1 | 31 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
240 | 941 | 43 | None | -6 | 25 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
2769 | 941 | 43 | None | -6 | 25 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
44279790 | 941 | 43 | None | -6 | 25 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
660 | 941 | 43 | None | -6 | 25 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL1729 | 941 | 43 | None | -6 | 25 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL560739 | 941 | 43 | None | -6 | 25 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
DB00604 | 941 | 43 | None | -6 | 25 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
2284 | 3160 | 33 | None | -16 | 29 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
4926 | 3160 | 33 | None | -16 | 29 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
7281 | 3160 | 33 | None | -16 | 29 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL564 | 3160 | 33 | None | -16 | 29 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00420 | 3160 | 33 | None | -16 | 29 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
5280343 | 188251 | 124 | None | - | 32 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1520590 | 188251 | 124 | None | - | 32 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL50 | 188251 | 124 | None | - | 32 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | ||
10831 | 116937 | 25 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 397 | 7 | 2 | 5 | 4.3 | O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL338667 | 116937 | 25 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 397 | 7 | 2 | 5 | 4.3 | O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
68867 | 78144 | 38 | None | - | 0 | Human | 8.6 | pAC50 | = | 8.6 | Binding | ChEMBL | 402 | 7 | 2 | 6 | 3.1 | CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2104523 | 78144 | 38 | None | - | 0 | Human | 8.6 | pAC50 | = | 8.6 | Binding | ChEMBL | 402 | 7 | 2 | 6 | 3.1 | CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 8.6 | pAC50 | = | 8.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 8.6 | pAC50 | = | 8.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 8.6 | pAC50 | = | 8.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 8.6 | pAC50 | = | 8.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 8.6 | pAC50 | = | 8.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
2105 | 3032 | 37 | None | -28 | 33 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
47811 | 3032 | 37 | None | -28 | 33 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
48 | 3032 | 37 | None | -28 | 33 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
CHEMBL531 | 3032 | 37 | None | -28 | 33 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
DB01186 | 3032 | 37 | None | -28 | 33 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
135409453 | 3744 | 41 | None | 2 | 2 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
226 | 3744 | 41 | None | 2 | 2 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL76370 | 3744 | 41 | None | 2 | 2 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
20628 | 96519 | 28 | None | - | 0 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL26291 | 96519 | 28 | None | - | 0 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | ||
441074 | 19382 | 82 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1294 | 19382 | 82 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
165193 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
2303 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
4946 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
564 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
62882 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
63 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
66366 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
91536 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL27 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL452861 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
DB00571 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
135398745 | 2893 | 112 | None | -5 | 66 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
47 | 2893 | 112 | None | -5 | 66 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL715 | 2893 | 112 | None | -5 | 66 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00334 | 2893 | 112 | None | -5 | 66 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
103 | 4122 | 61 | None | 1 | 54 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
2875 | 4122 | 61 | None | 1 | 54 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
5736 | 4122 | 61 | None | 1 | 54 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL285802 | 4122 | 61 | None | 1 | 54 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
DB09225 | 4122 | 61 | None | 1 | 54 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
5666 | 102965 | 35 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 237 | 5 | 1 | 4 | 1.5 | CCOc1ccccc1OCC1CNCCO1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL306700 | 102965 | 35 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 237 | 5 | 1 | 4 | 1.5 | CCOc1ccccc1OCC1CNCCO1 | 10.1038/s41467-023-40064-9 | ||
16362 | 3103 | 71 | None | - | 30 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2172 | 3103 | 71 | None | - | 30 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
90 | 3103 | 71 | None | - | 30 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1423 | 3103 | 71 | None | - | 30 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB01100 | 3103 | 71 | None | - | 30 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
4209 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
4893 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
503 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
5385 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
DB00457 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
319 | 1312 | 44 | None | - | 9 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
321 | 1312 | 44 | None | - | 9 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
444031 | 1312 | 44 | None | - | 9 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
784 | 1312 | 44 | None | - | 9 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1346 | 1312 | 44 | None | - | 9 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
DB00496 | 1312 | 44 | None | - | 9 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
2402 | 3345 | 62 | None | -9 | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
5095 | 3345 | 62 | None | -9 | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
7295 | 3345 | 62 | None | -9 | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL589 | 3345 | 62 | None | -9 | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
DB00268 | 3345 | 62 | None | -9 | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
3316 | 31730 | 71 | None | - | 0 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 221 | 7 | 1 | 2 | 2.7 | CCCCCCOc1ccccc1C(N)=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1405973 | 31730 | 71 | None | - | 0 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 221 | 7 | 1 | 2 | 2.7 | CCCCCCOc1ccccc1C(N)=O | 10.1038/s41467-023-40064-9 | ||
216416 | 111554 | 48 | None | - | 0 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL328190 | 111554 | 48 | None | - | 0 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
2771 | 194994 | 74 | None | 1 | 27 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200781 | 194994 | 74 | None | 1 | 27 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL549 | 194994 | 74 | None | 1 | 27 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
2337 | 3232 | 77 | None | -15 | 63 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
50 | 3232 | 77 | None | -15 | 63 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
5002 | 3232 | 77 | None | -15 | 63 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL716 | 3232 | 77 | None | -15 | 63 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB01224 | 3232 | 77 | None | -15 | 63 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
10007 | 14452 | 38 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 183 | 2 | 1 | 1 | 2.6 | CC(C)(N)Cc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201269 | 14452 | 38 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 183 | 2 | 1 | 1 | 2.6 | CC(C)(N)Cc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
150 | 2492 | 21 | None | 1 | 16 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
1764 | 2492 | 21 | None | 1 | 16 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
8226 | 2492 | 21 | None | 1 | 16 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201356 | 2492 | 21 | None | 1 | 16 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
DB00353 | 2492 | 21 | None | 1 | 16 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
2771 | 194994 | 74 | None | 1 | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200781 | 194994 | 74 | None | 1 | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL549 | 194994 | 74 | None | 1 | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
2099 | 9275 | 55 | None | - | 1 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1110 | 9275 | 55 | None | - | 1 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | 10.1038/s41467-023-40064-9 | ||
1782 | 2501 | 84 | None | -3 | 23 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
241 | 2501 | 84 | None | -3 | 23 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
4168 | 2501 | 84 | None | -3 | 23 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
CHEMBL86 | 2501 | 84 | None | -3 | 23 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
DB01233 | 2501 | 84 | None | -3 | 23 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
11626560 | 200914 | 94 | None | - | 0 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL601719 | 200914 | 94 | None | - | 0 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
1427 | 2000 | 54 | None | - | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
357 | 2000 | 54 | None | - | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
3696 | 2000 | 54 | None | - | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL11 | 2000 | 54 | None | - | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00458 | 2000 | 54 | None | - | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
124087 | 1377 | 114 | None | -5 | 15 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
7157 | 1377 | 114 | None | -5 | 15 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
814 | 1377 | 114 | None | -5 | 15 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1172 | 1377 | 114 | None | -5 | 15 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
DB00967 | 1377 | 114 | None | -5 | 15 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
1530 | 2169 | 50 | None | -19 | 21 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
3827 | 2169 | 50 | None | -19 | 21 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
7206 | 2169 | 50 | None | -19 | 21 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL534 | 2169 | 50 | None | -19 | 21 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
DB00920 | 2169 | 50 | None | -19 | 21 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
55645 | 84341 | 8 | None | - | 0 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2218861 | 84341 | 8 | None | - | 0 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
11658860 | 2329 | 51 | None | -1 | 3 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
2941 | 2329 | 51 | None | -1 | 3 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
4374 | 2329 | 51 | None | -1 | 3 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL360328 | 2329 | 51 | None | -1 | 3 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
DB04871 | 2329 | 51 | None | -1 | 3 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
48041 | 107054 | 46 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 352 | 6 | 1 | 3 | 4.4 | COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL315838 | 107054 | 46 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 352 | 6 | 1 | 3 | 4.4 | COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1 | 10.1038/s41467-023-40064-9 | ||
1209 | 1645 | 75 | None | -199 | 32 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
203 | 1645 | 75 | None | -199 | 32 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
3386 | 1645 | 75 | None | -199 | 32 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
CHEMBL41 | 1645 | 75 | None | -199 | 32 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
DB00472 | 1645 | 75 | None | -199 | 32 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
1210 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
1213 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
2725 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
33036 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
4411 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
616 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
6976 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
716121 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
90475904 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201353 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1554789 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL505 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
DB01114 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
DB13679 | 915 | 51 | None | -1380 | 21 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
11693 | 1814 | 16 | None | - | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
3494 | 1814 | 16 | None | - | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
4302 | 1814 | 16 | None | - | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
7459 | 1814 | 16 | None | - | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201335 | 1814 | 16 | None | - | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
DB00986 | 1814 | 16 | None | - | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
21722 | 17960 | 31 | None | - | 6 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL126224 | 17960 | 31 | None | - | 6 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
242 | 469 | 124 | None | -1 | 52 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
34 | 469 | 124 | None | -1 | 52 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
60795 | 469 | 124 | None | -1 | 52 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL1112 | 469 | 124 | None | -1 | 52 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
DB01238 | 469 | 124 | None | -1 | 52 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
31101 | 726 | 40 | None | -26 | 36 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
35 | 726 | 40 | None | -26 | 36 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
403 | 726 | 40 | None | -26 | 36 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL493 | 726 | 40 | None | -26 | 36 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
DB01200 | 726 | 40 | None | -26 | 36 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
2162 | 41484 | 100 | None | - | 6 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL1491 | 41484 | 100 | None | - | 6 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
3337 | 206344 | 27 | None | -75 | 41 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
65801 | 206344 | 27 | None | -75 | 41 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
66264 | 206344 | 27 | None | -75 | 41 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
91452 | 206344 | 27 | None | -75 | 41 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL87493 | 206344 | 27 | None | -75 | 41 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
3157 | 1458 | 71 | None | -37 | 12 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
7170 | 1458 | 71 | None | -37 | 12 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
954 | 1458 | 71 | None | -37 | 12 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL707 | 1458 | 71 | None | -37 | 12 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00590 | 1458 | 71 | None | -37 | 12 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
10531 | 1408 | 21 | None | -15 | 24 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
121 | 1408 | 21 | None | -15 | 24 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
888 | 1408 | 21 | None | -15 | 24 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1732 | 1408 | 21 | None | -15 | 24 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
DB00320 | 1408 | 21 | None | -15 | 24 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
2142 | 3074 | 58 | None | -43 | 37 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
4920903 | 3074 | 58 | None | -43 | 37 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
502 | 3074 | 58 | None | -43 | 37 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
5775 | 3074 | 58 | None | -43 | 37 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL597 | 3074 | 58 | None | -43 | 37 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
DB00692 | 3074 | 58 | None | -43 | 37 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
4418 | 34192 | 85 | None | - | 7 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL142635 | 34192 | 85 | None | - | 7 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
150 | 2492 | 21 | None | 1 | 16 | Human | 8.3 | pAC50 | = | 8.3 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
1764 | 2492 | 21 | None | 1 | 16 | Human | 8.3 | pAC50 | = | 8.3 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
8226 | 2492 | 21 | None | 1 | 16 | Human | 8.3 | pAC50 | = | 8.3 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201356 | 2492 | 21 | None | 1 | 16 | Human | 8.3 | pAC50 | = | 8.3 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
DB00353 | 2492 | 21 | None | 1 | 16 | Human | 8.3 | pAC50 | = | 8.3 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
2520 | 203985 | 70 | None | -4 | 12 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL1280 | 203985 | 70 | None | -4 | 12 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL6966 | 203985 | 70 | None | -4 | 12 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
123606 | 351 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 335 | 6 | 1 | 3 | 2.2 | CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C | 10.1038/s41467-023-40064-9 | ||
128 | 351 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 335 | 6 | 1 | 3 | 2.2 | CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C | 10.1038/s41467-023-40064-9 | ||
7110 | 351 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 335 | 6 | 1 | 3 | 2.2 | CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1505 | 351 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 335 | 6 | 1 | 3 | 2.2 | CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C | 10.1038/s41467-023-40064-9 | ||
DB00918 | 351 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 335 | 6 | 1 | 3 | 2.2 | CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C | 10.1038/s41467-023-40064-9 | ||
1209 | 1645 | 75 | None | -199 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
203 | 1645 | 75 | None | -199 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
3386 | 1645 | 75 | None | -199 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
CHEMBL41 | 1645 | 75 | None | -199 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
DB00472 | 1645 | 75 | None | -199 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
1212 | 1649 | 50 | None | -27 | 66 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
204 | 1649 | 50 | None | -27 | 66 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
3372 | 1649 | 50 | None | -27 | 66 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
CHEMBL726 | 1649 | 50 | None | -27 | 66 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
DB00623 | 1649 | 50 | None | -27 | 66 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
16231 | 207486 | 57 | None | - | 17 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 229 | 1 | 5 | 6 | -1.1 | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | 10.1038/s41467-023-40064-9 | ||
CHEMBL945 | 207486 | 57 | None | - | 17 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 229 | 1 | 5 | 6 | -1.1 | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | 10.1038/s41467-023-40064-9 | ||
5360696 | 1394 | 30 | None | - | 3 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
6953 | 1394 | 30 | None | - | 3 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
842 | 1394 | 30 | None | - | 3 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL52440 | 1394 | 30 | None | - | 3 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
DB00514 | 1394 | 30 | None | - | 3 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
4452 | 2742 | 19 | None | -208 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
983 | 2742 | 19 | None | -208 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL20734 | 2742 | 19 | None | -208 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
10531 | 1408 | 21 | None | -15 | 24 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
121 | 1408 | 21 | None | -15 | 24 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
888 | 1408 | 21 | None | -15 | 24 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1732 | 1408 | 21 | None | -15 | 24 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
DB00320 | 1408 | 21 | None | -15 | 24 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
27447 | 59773 | 63 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 347 | 4 | 3 | 5 | 0.4 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 | 10.1038/s41467-023-40064-9 | ||
6560168 | 59773 | 63 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 347 | 4 | 3 | 5 | 0.4 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1727 | 59773 | 63 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 347 | 4 | 3 | 5 | 0.4 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 | 10.1038/s41467-023-40064-9 | ||
154257 | 178595 | 67 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL46740 | 178595 | 67 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | ||
2470 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3300 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
5265 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
99 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL267930 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2600 | 3750 | 74 | None | -1 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
2608 | 3750 | 74 | None | -1 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
5405 | 3750 | 74 | None | -1 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL17157 | 3750 | 74 | None | -1 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
DB00342 | 3750 | 74 | None | -1 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
1224 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
3100 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
8980 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
916 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL657 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
DB01075 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
2286 | 3161 | 51 | None | -5 | 30 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
4927 | 3161 | 51 | None | -5 | 30 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
7282 | 3161 | 51 | None | -5 | 30 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL643 | 3161 | 51 | None | -5 | 30 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
DB01069 | 3161 | 51 | None | -5 | 30 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
2713 | 205248 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
5353524 | 205248 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
5360566 | 205248 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
88536661 | 205248 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
9552079 | 205248 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1330113 | 205248 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL790 | 205248 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
2389 | 3306 | 118 | None | -66 | 68 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
5073 | 3306 | 118 | None | -66 | 68 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
96 | 3306 | 118 | None | -66 | 68 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL85 | 3306 | 118 | None | -66 | 68 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
DB00734 | 3306 | 118 | None | -66 | 68 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
3639 | 168422 | 106 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 297 | 1 | 3 | 5 | -0.4 | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL435 | 168422 | 106 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 297 | 1 | 3 | 5 | -0.4 | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | 10.1038/s41467-023-40064-9 | ||
191 | 402 | 98 | None | -5 | 29 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
201 | 402 | 98 | None | -5 | 29 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
2170 | 402 | 98 | None | -5 | 29 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1113 | 402 | 98 | None | -5 | 29 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
DB00543 | 402 | 98 | None | -5 | 29 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
135 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
1796 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
4184 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL6437 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
DB06148 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
2780 | 110502 | 36 | None | - | 11 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 373 | 5 | 2 | 4 | 3.3 | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL325109 | 110502 | 36 | None | - | 11 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 373 | 5 | 2 | 4 | 3.3 | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
72093 | 35031 | 9 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1433361 | 35031 | 9 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2103773 | 35031 | 9 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
4212 | 198656 | 82 | None | - | 4 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1417019 | 198656 | 82 | None | - | 4 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL58 | 198656 | 82 | None | - | 4 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | ||
4567 | 9916 | 34 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL114655 | 9916 | 34 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
3062316 | 33545 | 121 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1421 | 33545 | 121 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | ||
213 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
2717 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
5533 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL621 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00656 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
135398737 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
38 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
722 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL42 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00363 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2105 | 3032 | 37 | None | -28 | 33 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
47811 | 3032 | 37 | None | -28 | 33 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
48 | 3032 | 37 | None | -28 | 33 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
CHEMBL531 | 3032 | 37 | None | -28 | 33 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
DB01186 | 3032 | 37 | None | -28 | 33 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
37 | 775 | 60 | None | 1 | 17 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
460 | 775 | 60 | None | 1 | 17 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
54746 | 775 | 60 | None | 1 | 17 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201087 | 775 | 60 | None | 1 | 17 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
DB00248 | 775 | 60 | None | 1 | 17 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
1234 | 189197 | 56 | None | - | 0 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL1256940 | 189197 | 56 | None | - | 0 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL51149 | 189197 | 56 | None | - | 0 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
180 | 400 | 56 | None | -35 | 40 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
200 | 400 | 56 | None | -35 | 40 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
2160 | 400 | 56 | None | -35 | 40 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL629 | 400 | 56 | None | -35 | 40 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00321 | 400 | 56 | None | -35 | 40 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
3152 | 188387 | 103 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL502 | 188387 | 103 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
1890 | 2739 | 49 | None | - | 16 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
4449 | 2739 | 49 | None | - | 16 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
7247 | 2739 | 49 | None | - | 16 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL623 | 2739 | 49 | None | - | 16 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
DB01149 | 2739 | 49 | None | - | 16 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
214 | 3831 | 58 | None | - | 30 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
2740 | 3831 | 58 | None | - | 30 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
5566 | 3831 | 58 | None | - | 30 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
66064 | 3831 | 58 | None | - | 30 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
CHEMBL422 | 3831 | 58 | None | - | 30 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
DB00831 | 3831 | 58 | None | - | 30 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
212 | 3777 | 47 | None | - | 25 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
2639 | 3777 | 47 | None | - | 25 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
941651 | 3777 | 47 | None | - | 25 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201 | 3777 | 47 | None | - | 25 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
DB01623 | 3777 | 47 | None | - | 25 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
102 | 4096 | 48 | None | -93 | 50 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
3659 | 4096 | 48 | None | -93 | 50 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
8969 | 4096 | 48 | None | -93 | 50 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL15245 | 4096 | 48 | None | -93 | 50 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
DB01392 | 4096 | 48 | None | -93 | 50 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
198 | 312 | 126 | None | -346 | 6 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 10.1038/s41467-023-40064-9 | ||
82148 | 312 | 126 | None | -346 | 6 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 10.1038/s41467-023-40064-9 | ||
99 | 312 | 126 | None | -346 | 6 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL10878 | 312 | 126 | None | -346 | 6 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 10.1038/s41467-023-40064-9 | ||
DB06594 | 312 | 126 | None | -346 | 6 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 10.1038/s41467-023-40064-9 | ||
8249 | 59375 | 65 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 205 | 3 | 5 | 2 | 0.2 | N=C(N)NC(=N)NCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1528839 | 59375 | 65 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 205 | 3 | 5 | 2 | 0.2 | N=C(N)NC(=N)NCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL170988 | 59375 | 65 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 205 | 3 | 5 | 2 | 0.2 | N=C(N)NC(=N)NCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
1222 | 878 | 0 | None | - | 2 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 388 | 8 | 1 | 4 | 3.1 | OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2678 | 878 | 0 | None | - | 2 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 388 | 8 | 1 | 4 | 3.1 | OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
581 | 878 | 0 | None | - | 2 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 388 | 8 | 1 | 4 | 3.1 | OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1000 | 878 | 0 | None | - | 2 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 388 | 8 | 1 | 4 | 3.1 | OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00341 | 878 | 0 | None | - | 2 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 388 | 8 | 1 | 4 | 3.1 | OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
1016 | 3720 | 78 | None | -17 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2561 | 3720 | 78 | None | -17 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2733526 | 3720 | 78 | None | -17 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
5384 | 3720 | 78 | None | -17 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL83 | 3720 | 78 | None | -17 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00675 | 3720 | 78 | None | -17 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3686 | 94638 | 108 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 338 | 12 | 1 | 5 | 3.5 | COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL252556 | 94638 | 108 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 338 | 12 | 1 | 5 | 3.5 | COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O | 10.1038/s41467-023-40064-9 | ||
6989 | 100925 | 115 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 150 | 1 | 1 | 1 | 2.8 | Cc1ccc(C(C)C)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL29411 | 100925 | 115 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 150 | 1 | 1 | 1 | 2.8 | Cc1ccc(C(C)C)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
4886 | 14078 | 28 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 293 | 9 | 0 | 4 | 3.0 | CCCCOc1ccc(OCCCN2CCOCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1198 | 14078 | 28 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 293 | 9 | 0 | 4 | 3.0 | CCCCOc1ccc(OCCCN2CCOCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
2318 | 154832 | 29 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL400599 | 154832 | 29 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2726 | 916 | 68 | None | -19 | 73 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
621 | 916 | 68 | None | -19 | 73 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
83 | 916 | 68 | None | -19 | 73 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL71 | 916 | 68 | None | -19 | 73 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
DB00477 | 916 | 68 | None | -19 | 73 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
441074 | 19382 | 82 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1294 | 19382 | 82 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
10198431 | 73876 | 0 | None | -7 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL201930 | 73876 | 0 | None | -7 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
44407335 | 73065 | 0 | None | -7 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 321 | 5 | 1 | 3 | 4.7 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL201117 | 73065 | 0 | None | -7 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 321 | 5 | 1 | 3 | 4.7 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1 | 10.1016/j.bmcl.2005.10.029 | ||
44407440 | 139281 | 0 | None | -4 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 329 | 5 | 1 | 3 | 4.7 | Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL379223 | 139281 | 0 | None | -4 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 329 | 5 | 1 | 3 | 4.7 | Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
18715554 | 74395 | 0 | None | -10 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cnccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL202656 | 74395 | 0 | None | -10 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cnccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
18715564 | 73351 | 0 | None | -7 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 2 | 1 | 3 | 3.2 | C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL201454 | 73351 | 0 | None | -7 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 2 | 1 | 3 | 3.2 | C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
18715555 | 74346 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 4.1 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL202458 | 74346 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 4.1 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2005.10.029 | ||
135398737 | 955 | 93 | None | -2 | 92 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 955 | 93 | None | -2 | 92 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 955 | 93 | None | -2 | 92 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 955 | 93 | None | -2 | 92 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 955 | 93 | None | -2 | 92 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
44407398 | 74389 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 365 | 5 | 1 | 3 | 5.5 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL202616 | 74389 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 365 | 5 | 1 | 3 | 5.5 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.10.029 | ||
5 | 139 | 72 | None | -29 | 55 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2015.08.051 | ||
5202 | 139 | 72 | None | -29 | 55 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2015.08.051 | ||
CHEMBL39 | 139 | 72 | None | -29 | 55 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2015.08.051 | ||
DB08839 | 139 | 72 | None | -29 | 55 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2015.08.051 | ||
166 | 3334 | 18 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
3045227 | 3334 | 18 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL76781 | 3334 | 18 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
44407453 | 74374 | 0 | None | -9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 5.0 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL202538 | 74374 | 0 | None | -9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 5.0 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl | 10.1016/j.bmcl.2005.10.029 | ||
18715561 | 73015 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cccnc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL201062 | 73015 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cccnc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
44407327 | 141222 | 0 | None | -5 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 345 | 6 | 1 | 4 | 4.4 | COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL383042 | 141222 | 0 | None | -5 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 345 | 6 | 1 | 4 | 4.4 | COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
18715558 | 73853 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ccncc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL201897 | 73853 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ccncc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
9901086 | 187607 | 33 | None | - | 2 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 304 | 4 | 1 | 5 | 2.1 | Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 | 10.1021/jm5019274 | ||
CHEMBL494947 | 187607 | 33 | None | - | 2 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 304 | 4 | 1 | 5 | 2.1 | Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 | 10.1021/jm5019274 | ||
44407337 | 74175 | 0 | None | -5 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 3.4 | C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL202324 | 74175 | 0 | None | -5 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 3.4 | C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
44407460 | 140325 | 0 | None | -6 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 315 | 5 | 1 | 3 | 4.4 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL380763 | 140325 | 0 | None | -6 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 315 | 5 | 1 | 3 | 4.4 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL5081637 | 214734 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CN(CCc1cn(C)c2cccc(O)c12)CC1CC1 | 10.1021/acsmedchemlett.1c00578 | ||||
133 | 2479 | 52 | None | -2 | 43 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
1723 | 2479 | 52 | None | -2 | 43 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
28693 | 2479 | 52 | None | -2 | 43 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
CHEMBL19215 | 2479 | 52 | None | -2 | 43 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
DB13520 | 2479 | 52 | None | -2 | 43 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
11291 | 3196 | 26 | None | - | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1021/acsmedchemlett.1c00578 | ||
4980 | 3196 | 26 | None | - | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1021/acsmedchemlett.1c00578 | ||
CHEMBL65547 | 3196 | 26 | None | - | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1021/acsmedchemlett.1c00578 | ||
150 | 2492 | 21 | None | 1 | 16 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
1764 | 2492 | 21 | None | 1 | 16 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
8226 | 2492 | 21 | None | 1 | 16 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
CHEMBL1201356 | 2492 | 21 | None | 1 | 16 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
DB00353 | 2492 | 21 | None | 1 | 16 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
191 | 402 | 98 | None | -5 | 29 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
201 | 402 | 98 | None | -5 | 29 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
2170 | 402 | 98 | None | -5 | 29 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
CHEMBL1113 | 402 | 98 | None | -5 | 29 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
DB00543 | 402 | 98 | None | -5 | 29 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
2099 | 9275 | 55 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | nan | ||
CHEMBL1110 | 9275 | 55 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | nan | ||
11518143 | 89037 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 454 | 12 | 1 | 5 | 4.0 | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Cc2ccccc2)C(C)C)ccc1OC | 10.1021/jm3017078 | ||
CHEMBL2322611 | 89037 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 454 | 12 | 1 | 5 | 4.0 | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Cc2ccccc2)C(C)C)ccc1OC | 10.1021/jm3017078 | ||
CHEMBL2365004 | 89037 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 454 | 12 | 1 | 5 | 4.0 | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Cc2ccccc2)C(C)C)ccc1OC | 10.1021/jm3017078 | ||
2274 | 3151 | 58 | None | -10 | 32 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
4917 | 3151 | 58 | None | -10 | 32 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
7279 | 3151 | 58 | None | -10 | 32 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
CHEMBL728 | 3151 | 58 | None | -10 | 32 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
DB00433 | 3151 | 58 | None | -10 | 32 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
25060119 | 104288 | 0 | None | -9332 | 7 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 6.1 | COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC | 10.1016/j.bmcl.2013.10.045 | ||
CHEMBL3099899 | 104288 | 0 | None | -9332 | 7 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 6.1 | COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC | 10.1016/j.bmcl.2013.10.045 | ||
3033538 | 1307 | 39 | None | -12 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
7155 | 1307 | 39 | None | -12 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
781 | 1307 | 39 | None | -12 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
CHEMBL1201216 | 1307 | 39 | None | -12 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
DB00298 | 1307 | 39 | None | -12 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
213 | 3824 | 55 | None | -5 | 44 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
2717 | 3824 | 55 | None | -5 | 44 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
5533 | 3824 | 55 | None | -5 | 44 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
CHEMBL621 | 3824 | 55 | None | -5 | 44 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
DB00656 | 3824 | 55 | None | -5 | 44 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
12488 | 1644 | 56 | None | -11 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
941361 | 1644 | 56 | None | -11 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
CHEMBL30008 | 1644 | 56 | None | -11 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
DB04841 | 1644 | 56 | None | -11 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
135398737 | 955 | 93 | None | -2 | 92 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 955 | 93 | None | -2 | 92 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 955 | 93 | None | -2 | 92 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 955 | 93 | None | -2 | 92 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 955 | 93 | None | -2 | 92 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
73453 | 29585 | 24 | None | -9 | 17 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
CHEMBL1385840 | 29585 | 24 | None | -9 | 17 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
25070577 | 111639 | 4 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.3 | CNc1nc(C(F)(F)c2ccccc2)nc2c1CCNCC2 | 10.1021/jm5003292 | ||
CHEMBL3286557 | 111639 | 4 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.3 | CNc1nc(C(F)(F)c2ccccc2)nc2c1CCNCC2 | 10.1021/jm5003292 | ||
240 | 941 | 43 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
2769 | 941 | 43 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
44279790 | 941 | 43 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
660 | 941 | 43 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL1729 | 941 | 43 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL560739 | 941 | 43 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
DB00604 | 941 | 43 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
146159245 | 188426 | 30 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
451415 | 188426 | 30 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
86289437 | 188426 | 30 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
CHEMBL502620 | 188426 | 30 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
1224 | 1420 | 83 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
3100 | 1420 | 83 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
8980 | 1420 | 83 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
916 | 1420 | 83 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
CHEMBL657 | 1420 | 83 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
DB01075 | 1420 | 83 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
4178 | 195780 | 63 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | nan | ||
CHEMBL558 | 195780 | 63 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | nan | ||
44190762 | 176856 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
CHEMBL461571 | 176856 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
222757 | 99348 | 73 | None | -1 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | ||
CHEMBL282575 | 99348 | 73 | None | -1 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | ||
2812 | 4747 | 101 | None | -40 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
CHEMBL104 | 4747 | 101 | None | -40 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
2247 | 504 | 81 | None | -4 | 42 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 504 | 81 | None | -4 | 42 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 504 | 81 | None | -4 | 42 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 504 | 81 | None | -4 | 42 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 504 | 81 | None | -4 | 42 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
23027035 | 198524 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1 | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL578170 | 198524 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1 | 10.1016/j.bmcl.2009.09.003 | ||
78319901 | 159210 | 35 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 379 | 4 | 1 | 6 | 3.6 | C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)O1 | 10.6019/CHEMBL5212743 | ||
CHEMBL4098877 | 159210 | 35 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 379 | 4 | 1 | 6 | 3.6 | C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)O1 | 10.6019/CHEMBL5212743 | ||
54764239 | 68837 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 272 | 2 | 1 | 3 | 2.7 | CC/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
CHEMBL1922537 | 68837 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 272 | 2 | 1 | 3 | 2.7 | CC/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
2726 | 916 | 68 | None | -19 | 73 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 916 | 68 | None | -19 | 73 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 916 | 68 | None | -19 | 73 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 916 | 68 | None | -19 | 73 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 916 | 68 | None | -19 | 73 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
76072441 | 153923 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 391 | 7 | 0 | 4 | 3.4 | C=CCN1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
CHEMBL3983539 | 153923 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 391 | 7 | 0 | 4 | 3.4 | C=CCN1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
100 | 3776 | 58 | None | -11 | 56 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
2637 | 3776 | 58 | None | -11 | 56 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
5452 | 3776 | 58 | None | -11 | 56 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
CHEMBL479 | 3776 | 58 | None | -11 | 56 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
DB00679 | 3776 | 58 | None | -11 | 56 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
134551 | 357 | 27 | None | -6 | 21 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
271 | 357 | 27 | None | -6 | 21 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
885 | 357 | 27 | None | -6 | 21 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
CHEMBL1403281 | 357 | 27 | None | -6 | 21 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
23027211 | 197227 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.3 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL568400 | 197227 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.3 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
100951644 | 169610 | 16 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 411 | 7 | 2 | 9 | 2.3 | CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1)c1ccccc1 | 10.1021/acs.jmedchem.9b00260 | ||
CHEMBL4437106 | 169610 | 16 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 411 | 7 | 2 | 9 | 2.3 | CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1)c1ccccc1 | 10.1021/acs.jmedchem.9b00260 | ||
3042 | 1402 | 35 | None | -39 | 15 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
355 | 1402 | 35 | None | -39 | 15 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
868 | 1402 | 35 | None | -39 | 15 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
CHEMBL1123 | 1402 | 35 | None | -39 | 15 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
DB00804 | 1402 | 35 | None | -39 | 15 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
5591 | 157507 | 90 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | nan | ||
CHEMBL408 | 157507 | 90 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | nan | ||
3168 | 9230 | 92 | None | -107 | 22 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
CHEMBL1108 | 9230 | 92 | None | -107 | 22 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
127048333 | 140655 | 1 | None | 38 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3815112 | 140655 | 1 | None | 38 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
1971 | 2846 | 38 | None | -4 | 30 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
2404 | 2846 | 38 | None | -4 | 30 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
4543 | 2846 | 38 | None | -4 | 30 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
CHEMBL445 | 2846 | 38 | None | -4 | 30 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
DB00540 | 2846 | 38 | None | -4 | 30 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
1548953 | 207656 | 27 | None | -4 | 17 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
CHEMBL954 | 207656 | 27 | None | -4 | 17 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
5870 | 31630 | 92 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | nan | ||
CHEMBL1405 | 31630 | 92 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | nan | ||
6319 | 23443 | 95 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 260 | 4 | 2 | 2 | 5.2 | c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 | nan | ||
CHEMBL1333512 | 23443 | 95 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 260 | 4 | 2 | 2 | 5.2 | c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 | nan | ||
1305 | 510 | 14 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
9934033 | 510 | 14 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL182150 | 510 | 14 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
121318543 | 177543 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 560 | 6 | 0 | 6 | 4.7 | COc1c(S(C)(=O)=O)ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(c2ncc(C(F)(F)F)cc2Cl)C1 | 10.1016/j.bmcl.2020.127214 | ||
CHEMBL4640428 | 177543 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 560 | 6 | 0 | 6 | 4.7 | COc1c(S(C)(=O)=O)ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(c2ncc(C(F)(F)F)cc2Cl)C1 | 10.1016/j.bmcl.2020.127214 | ||
16665072 | 98510 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 8 | 1 | 6 | 3.6 | CN(C)CCN(C)c1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C | 10.1016/j.bmcl.2006.11.092 | ||
CHEMBL276393 | 98510 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 8 | 1 | 6 | 3.6 | CN(C)CCN(C)c1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C | 10.1016/j.bmcl.2006.11.092 | ||
155558726 | 174784 | 0 | None | -19 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
CHEMBL4562303 | 174784 | 0 | None | -19 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
667590 | 67765 | 12 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 313 | 3 | 0 | 1 | 4.4 | O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 | nan | ||
CHEMBL1909048 | 67765 | 12 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 313 | 3 | 0 | 1 | 4.4 | O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 | nan | ||
44112 | 121264 | 48 | None | -11 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
CHEMBL357995 | 121264 | 48 | None | -11 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
17683252 | 67767 | 3 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 347 | 3 | 0 | 1 | 4.8 | O=C(c1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 | nan | ||
CHEMBL1909051 | 67767 | 3 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 347 | 3 | 0 | 1 | 4.8 | O=C(c1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 | nan | ||
155565189 | 175541 | 0 | None | -6 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
CHEMBL4579120 | 175541 | 0 | None | -6 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
3525815 | 74117 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 271 | 2 | 0 | 3 | 4.1 | c1ccc(-n2cc(-c3ccnc4ccccc34)cn2)cc1 | 10.1016/j.bmcl.2012.03.032 | ||
CHEMBL2022867 | 74117 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 271 | 2 | 0 | 3 | 4.1 | c1ccc(-n2cc(-c3ccnc4ccccc34)cn2)cc1 | 10.1016/j.bmcl.2012.03.032 | ||
2520 | 203985 | 70 | None | -4 | 12 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
CHEMBL1280 | 203985 | 70 | None | -4 | 12 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
CHEMBL6966 | 203985 | 70 | None | -4 | 12 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
23027245 | 197105 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL567791 | 197105 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
10660 | 14384 | 58 | None | -29 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
CHEMBL1200406 | 14384 | 58 | None | -29 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
2333 | 142310 | 97 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | nan | ||
CHEMBL388590 | 142310 | 97 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | nan | ||
2771 | 194994 | 74 | None | 1 | 27 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
CHEMBL1200781 | 194994 | 74 | None | 1 | 27 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
CHEMBL549 | 194994 | 74 | None | 1 | 27 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
104903 | 56314 | 17 | None | -4 | 6 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
CHEMBL1630578 | 56314 | 17 | None | -4 | 6 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
2723 | 154022 | 108 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | nan | ||
CHEMBL398440 | 154022 | 108 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | nan | ||
1379258 | 67766 | 13 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.1 | Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 | nan | ||
CHEMBL1909050 | 67766 | 13 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.1 | Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 | nan | ||
76072442 | 146363 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 5 | 0 | 4 | 4.0 | CC(C)(C)N1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
CHEMBL3921628 | 146363 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 5 | 0 | 4 | 4.0 | CC(C)(C)N1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
11277147 | 106314 | 0 | None | 9 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092759 | 106314 | 0 | None | 9 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3139188 | 106314 | 0 | None | 9 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
76072471 | 153513 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 405 | 6 | 0 | 4 | 3.8 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCC1 | nan | ||
CHEMBL3980023 | 153513 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 405 | 6 | 0 | 4 | 3.8 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCC1 | nan | ||
11452268 | 81544 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 4.2 | Cc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2006.11.092 | ||
CHEMBL216228 | 81544 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 4.2 | Cc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2006.11.092 | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.03.006 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.03.006 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.03.006 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.03.006 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.03.006 | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.11.014 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.11.014 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.11.014 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.11.014 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.11.014 | ||
9881053 | 120219 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 4.1 | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 | 10.1021/jm020954v | ||
CHEMBL35226 | 120219 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 4.1 | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 | 10.1021/jm020954v | ||
1201549 | 594 | 24 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
333 | 594 | 24 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
7601 | 594 | 24 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1201203 | 594 | 24 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL438151 | 594 | 24 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
DB00245 | 594 | 24 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
5510 | 205829 | 100 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | nan | ||
CHEMBL83668 | 205829 | 100 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | nan | ||
44393396 | 127271 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.6 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3cccc(Cl)c3Cl)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
CHEMBL365882 | 127271 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.6 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3cccc(Cl)c3Cl)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
4122 | 207602 | 108 | None | -3 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 301 | 3 | 2 | 5 | 3.0 | COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1 | nan | ||
CHEMBL9514 | 207602 | 108 | None | -3 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 301 | 3 | 2 | 5 | 3.0 | COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1 | nan | ||
1353 | 1898 | 93 | None | -295 | 86 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
3559 | 1898 | 93 | None | -295 | 86 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
86 | 1898 | 93 | None | -295 | 86 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
CHEMBL54 | 1898 | 93 | None | -295 | 86 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
DB00502 | 1898 | 93 | None | -295 | 86 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
1016 | 3720 | 78 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2561 | 3720 | 78 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2733526 | 3720 | 78 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
5384 | 3720 | 78 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL83 | 3720 | 78 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
DB00675 | 3720 | 78 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL1909069 | 209053 | 0 | None | -1 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | None | nan | ||||
1343 | 1876 | 62 | None | -14 | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
3519 | 1876 | 62 | None | -14 | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
522 | 1876 | 62 | None | -14 | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
CHEMBL862 | 1876 | 62 | None | -14 | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
DB01018 | 1876 | 62 | None | -14 | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
2337 | 3232 | 77 | None | -15 | 63 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
50 | 3232 | 77 | None | -15 | 63 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
5002 | 3232 | 77 | None | -15 | 63 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
CHEMBL716 | 3232 | 77 | None | -15 | 63 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
DB01224 | 3232 | 77 | None | -15 | 63 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
122196341 | 124247 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 6.0 | O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1 | 10.1021/acs.jmedchem.5b01240 | ||
CHEMBL3634745 | 124247 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 6.0 | O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1 | 10.1021/acs.jmedchem.5b01240 | ||
2585 | 800 | 103 | None | -18 | 22 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
522 | 800 | 103 | None | -18 | 22 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
551 | 800 | 103 | None | -18 | 22 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
CHEMBL723 | 800 | 103 | None | -18 | 22 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
DB01136 | 800 | 103 | None | -18 | 22 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
2389 | 3306 | 118 | None | -66 | 68 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
5073 | 3306 | 118 | None | -66 | 68 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
96 | 3306 | 118 | None | -66 | 68 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
CHEMBL85 | 3306 | 118 | None | -66 | 68 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
DB00734 | 3306 | 118 | None | -66 | 68 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
2398 | 951 | 62 | None | -3 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
2801 | 951 | 62 | None | -3 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
701 | 951 | 62 | None | -3 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
CHEMBL415 | 951 | 62 | None | -3 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
DB01242 | 951 | 62 | None | -3 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
1605 | 2327 | 117 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
3957 | 2327 | 117 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
7216 | 2327 | 117 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
CHEMBL998 | 2327 | 117 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
DB00455 | 2327 | 117 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
45482789 | 198902 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | ||
CHEMBL584554 | 198902 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | ||
122185011 | 122538 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 339 | 3 | 0 | 3 | 5.0 | COc1ccc2c([C@H]3CCc4ccc(Cl)cc43)nccc2c1OC | 10.1039/C4MD00113C | ||
CHEMBL3601563 | 122538 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 339 | 3 | 0 | 3 | 5.0 | COc1ccc2c([C@H]3CCc4ccc(Cl)cc43)nccc2c1OC | 10.1039/C4MD00113C | ||
11080 | 29054 | 79 | None | -6 | 6 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
CHEMBL1381098 | 29054 | 79 | None | -6 | 6 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
3151 | 1450 | 97 | None | -125 | 27 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
945 | 1450 | 97 | None | -125 | 27 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
965 | 1450 | 97 | None | -125 | 27 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
CHEMBL219916 | 1450 | 97 | None | -125 | 27 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
DB01184 | 1450 | 97 | None | -125 | 27 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
5818 | 3764 | 47 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 394 | 8 | 1 | 5 | 3.8 | COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC | 10.1021/jm401431x | ||
5886965 | 3764 | 47 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 394 | 8 | 1 | 5 | 3.8 | COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC | 10.1021/jm401431x | ||
CHEMBL1368005 | 3764 | 47 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 394 | 8 | 1 | 5 | 3.8 | COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC | 10.1021/jm401431x | ||
76072440 | 149326 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 393 | 6 | 0 | 4 | 3.6 | CC(C)N1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
CHEMBL3945224 | 149326 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 393 | 6 | 0 | 4 | 3.6 | CC(C)N1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
1227 | 2472 | 43 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
2331 | 2472 | 43 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
3957 | 2472 | 43 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
4992 | 2472 | 43 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
CHEMBL511 | 2472 | 43 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
DB06691 | 2472 | 43 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
42636941 | 178925 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
CHEMBL470432 | 178925 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
1524 | 2168 | 96 | None | -229 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
197 | 2168 | 96 | None | -229 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
3822 | 2168 | 96 | None | -229 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
88 | 2168 | 96 | None | -229 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
CHEMBL51 | 2168 | 96 | None | -229 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
DB12465 | 2168 | 96 | None | -229 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
119584 | 2577 | 102 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
1848 | 2577 | 102 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
242 | 2577 | 102 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
CHEMBL60889 | 2577 | 102 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
DB11675 | 2577 | 102 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
76072443 | 151554 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 391 | 6 | 0 | 4 | 3.4 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CC1 | nan | ||
CHEMBL3963333 | 151554 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 391 | 6 | 0 | 4 | 3.4 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CC1 | nan | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2013.03.016 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2013.03.016 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2013.03.016 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2013.03.016 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2013.03.016 | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
72548703 | 161543 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
CHEMBL4128926 | 161543 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
1043 | 1569 | 14 | None | -22 | 29 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
149 | 1569 | 14 | None | -22 | 29 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
8223 | 1569 | 14 | None | -22 | 29 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
CHEMBL442 | 1569 | 14 | None | -22 | 29 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
DB00696 | 1569 | 14 | None | -22 | 29 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
23027527 | 196769 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 5 | 2 | 5 | 3.1 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL565551 | 196769 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 5 | 2 | 5 | 3.1 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
23027411 | 198497 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL577912 | 198497 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
5318 | 15544 | 49 | None | -1 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1200348 | 15544 | 49 | None | -1 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1221 | 15544 | 49 | None | -1 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
1531 | 2253 | 69 | None | -16 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
3869 | 2253 | 69 | None | -16 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
7207 | 2253 | 69 | None | -16 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
CHEMBL429 | 2253 | 69 | None | -16 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
DB00598 | 2253 | 69 | None | -16 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
124 | 2960 | 47 | None | -181 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
2032 | 2960 | 47 | None | -181 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
4636 | 2960 | 47 | None | -181 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
CHEMBL762 | 2960 | 47 | None | -181 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
DB00935 | 2960 | 47 | None | -181 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
45485062 | 197145 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1 | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL567993 | 197145 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1 | 10.1016/j.bmcl.2009.09.003 | ||
44404883 | 72033 | 32 | None | -2 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.0 | CN(C)CCc1cn(C)c2cccc(O)c12 | 10.1021/acsmedchemlett.1c00578 | ||
CHEMBL197664 | 72033 | 32 | None | -2 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.0 | CN(C)CCc1cn(C)c2cccc(O)c12 | 10.1021/acsmedchemlett.1c00578 | ||
15987265 | 196864 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 5.3 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL566075 | 196864 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 5.3 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
3191 | 102831 | 97 | None | -7 | 25 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
CHEMBL305660 | 102831 | 97 | None | -7 | 25 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
448537 | 160226 | 89 | None | -21 | 25 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
CHEMBL411 | 160226 | 89 | None | -21 | 25 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
5897 | 105184 | 80 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
CHEMBL311469 | 105184 | 80 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
72197486 | 102476 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 364 | 4 | 2 | 4 | 4.2 | Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 | 10.1016/j.ejmech.2013.02.020 | ||
CHEMBL2393245 | 102476 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 364 | 4 | 2 | 4 | 4.2 | Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 | 10.1016/j.ejmech.2013.02.020 | ||
CHEMBL3040361 | 102476 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 364 | 4 | 2 | 4 | 4.2 | Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 | 10.1016/j.ejmech.2013.02.020 | ||
45484995 | 198496 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 403 | 6 | 2 | 5 | 3.5 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL577904 | 198496 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 403 | 6 | 2 | 5 | 3.5 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
127048335 | 140567 | 1 | None | 15 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3813726 | 140567 | 1 | None | 15 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
196129 | 67769 | 17 | None | -26 | 15 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
CHEMBL1909065 | 67769 | 17 | None | -26 | 15 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
4011 | 82379 | 49 | None | -20 | 24 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL21731 | 82379 | 49 | None | -20 | 24 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
4601 | 206724 | 35 | None | -4 | 17 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL1201023 | 206724 | 35 | None | -4 | 17 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL900 | 206724 | 35 | None | -4 | 17 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
68617 | 205504 | 62 | None | -15 | 26 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL1709 | 205504 | 62 | None | -15 | 26 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL809 | 205504 | 62 | None | -15 | 26 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
165193 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
2303 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
4946 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
564 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
62882 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
63 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
66366 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
91536 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
CHEMBL27 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
CHEMBL452861 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
DB00571 | 3165 | 68 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
2353 | 101085 | 82 | None | -7 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
CHEMBL12089 | 101085 | 82 | None | -7 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
CHEMBL295124 | 101085 | 82 | None | -7 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
3117 | 207818 | 103 | None | -8 | 16 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
CHEMBL964 | 207818 | 103 | None | -8 | 16 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
2284 | 3160 | 33 | None | -16 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
4926 | 3160 | 33 | None | -16 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
7281 | 3160 | 33 | None | -16 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
CHEMBL564 | 3160 | 33 | None | -16 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
DB00420 | 3160 | 33 | None | -16 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
11304816 | 66249 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 424 | 5 | 1 | 5 | 4.0 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
CHEMBL184717 | 66249 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 424 | 5 | 1 | 5 | 4.0 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
11536844 | 115096 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343672 | 115096 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
2351 | 3261 | 64 | None | -7 | 21 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
2820 | 3261 | 64 | None | -7 | 21 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
5035 | 3261 | 64 | None | -7 | 21 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
CHEMBL81 | 3261 | 64 | None | -7 | 21 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
DB00481 | 3261 | 64 | None | -7 | 21 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
444795 | 139974 | 105 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | nan | ||
CHEMBL38 | 139974 | 105 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | nan | ||
26987 | 946 | 33 | None | -47 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
6063 | 946 | 33 | None | -47 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
671 | 946 | 33 | None | -47 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
CHEMBL1626 | 946 | 33 | None | -47 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
DB00283 | 946 | 33 | None | -47 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
72734860 | 103930 | 0 | None | 6 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092753 | 103930 | 0 | None | 6 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
3973 | 208157 | 110 | None | -44 | 3 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 307 | 2 | 0 | 4 | 3.3 | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 | nan | ||
CHEMBL98350 | 208157 | 110 | None | -44 | 3 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 307 | 2 | 0 | 4 | 3.3 | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 | nan | ||
3157 | 1458 | 71 | None | -37 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
7170 | 1458 | 71 | None | -37 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
954 | 1458 | 71 | None | -37 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
CHEMBL707 | 1458 | 71 | None | -37 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
DB00590 | 1458 | 71 | None | -37 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
58438464 | 3043 | 35 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
9060 | 3043 | 35 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
CHEMBL3287218 | 3043 | 35 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
DB14870 | 3043 | 35 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
6726 | 1269 | 51 | None | -7 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
7151 | 1269 | 51 | None | -7 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
749 | 1269 | 51 | None | -7 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL648 | 1269 | 51 | None | -7 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB01176 | 1269 | 51 | None | -7 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
118112300 | 155970 | 18 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 3.8 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F | 10.1016/j.bmcl.2017.03.085 | ||
CHEMBL4061793 | 155970 | 18 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 3.8 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F | 10.1016/j.bmcl.2017.03.085 | ||
2142 | 3074 | 58 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
4920903 | 3074 | 58 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
502 | 3074 | 58 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
5775 | 3074 | 58 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
CHEMBL597 | 3074 | 58 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
DB00692 | 3074 | 58 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
1212 | 1649 | 50 | None | -27 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1649 | 50 | None | -27 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1649 | 50 | None | -27 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1649 | 50 | None | -27 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1649 | 50 | None | -27 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
1042 | 1568 | 23 | None | -7 | 17 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
148 | 1568 | 23 | None | -7 | 17 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
443884 | 1568 | 23 | None | -7 | 17 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
CHEMBL119443 | 1568 | 23 | None | -7 | 17 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
DB01253 | 1568 | 23 | None | -7 | 17 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
44393215 | 66633 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 417 | 6 | 2 | 4 | 5.4 | Cc1cc(NC(C)C)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
CHEMBL185376 | 66633 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 417 | 6 | 2 | 4 | 5.4 | Cc1cc(NC(C)C)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
78243717 | 137325 | 53 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 321 | 4 | 1 | 5 | 2.4 | O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O | 10.6019/CHEMBL5212743 | ||
CHEMBL3752911 | 137325 | 53 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 321 | 4 | 1 | 5 | 2.4 | O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O | 10.6019/CHEMBL5212743 | ||
74538762 | 143516 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 419 | 6 | 0 | 4 | 4.2 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCCC1 | nan | ||
CHEMBL3898995 | 143516 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 419 | 6 | 0 | 4 | 4.2 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCCC1 | nan | ||
1599 | 2326 | 50 | None | -144 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
3955 | 2326 | 50 | None | -144 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
7215 | 2326 | 50 | None | -144 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL841 | 2326 | 50 | None | -144 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
DB00836 | 2326 | 50 | None | -144 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
165193 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
2303 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
4946 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
564 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
62882 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
63 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
66366 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
91536 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
CHEMBL27 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
CHEMBL452861 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
DB00571 | 3165 | 68 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
4209 | 3141 | 75 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
4893 | 3141 | 75 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
503 | 3141 | 75 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
5385 | 3141 | 75 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
CHEMBL2 | 3141 | 75 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
DB00457 | 3141 | 75 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
CHEMBL5079070 | 214581 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)N(C)CCc1cn(C)c2cccc(O)c12 | 10.1021/acsmedchemlett.1c00578 | ||||
124087 | 1377 | 114 | None | -5 | 15 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
7157 | 1377 | 114 | None | -5 | 15 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
814 | 1377 | 114 | None | -5 | 15 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
CHEMBL1172 | 1377 | 114 | None | -5 | 15 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
DB00967 | 1377 | 114 | None | -5 | 15 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
72198754 | 90851 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 443 | 8 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CCCCCN2Cc3ccc4ccccc4c3C2=O)CC1 | 10.1016/j.ejmech.2013.01.044 | ||
CHEMBL2392349 | 90851 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 443 | 8 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CCCCCN2Cc3ccc4ccccc4c3C2=O)CC1 | 10.1016/j.ejmech.2013.01.044 | ||
58438475 | 92244 | 0 | None | - | 2 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1021/ml500414n | ||
CHEMBL2426677 | 92244 | 0 | None | - | 2 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1021/ml500414n | ||
21138 | 98423 | 39 | None | -6 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
CHEMBL275742 | 98423 | 39 | None | -6 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
10389430 | 125925 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.3 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
CHEMBL364863 | 125925 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.3 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
1530 | 2169 | 50 | None | -19 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3827 | 2169 | 50 | None | -19 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
7206 | 2169 | 50 | None | -19 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL534 | 2169 | 50 | None | -19 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
DB00920 | 2169 | 50 | None | -19 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
5353853 | 17954 | 47 | None | -23 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
9556529 | 17954 | 47 | None | -23 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1262 | 17954 | 47 | None | -23 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
2600 | 3750 | 74 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
2608 | 3750 | 74 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
5405 | 3750 | 74 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
CHEMBL17157 | 3750 | 74 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
DB00342 | 3750 | 74 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
4211 | 57792 | 83 | None | -2 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
CHEMBL1670 | 57792 | 83 | None | -2 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
6761 | 67770 | 19 | None | -7 | 18 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
CHEMBL1909072 | 67770 | 19 | None | -7 | 18 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
1588 | 2311 | 27 | None | -6 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
28864 | 2311 | 27 | None | -6 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
43 | 2311 | 27 | None | -6 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
CHEMBL157138 | 2311 | 27 | None | -6 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
DB00589 | 2311 | 27 | None | -6 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
206 | 2476 | 16 | None | -1 | 25 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
68848 | 2476 | 16 | None | -1 | 25 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
CHEMBL12314 | 2476 | 16 | None | -1 | 25 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
44516817 | 57633 | 5 | None | -4365 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 316 | 3 | 1 | 6 | 2.2 | CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2011.01.038 | ||
CHEMBL1668584 | 57633 | 5 | None | -4365 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 316 | 3 | 1 | 6 | 2.2 | CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2011.01.038 | ||
6075 | 150084 | 42 | None | -8 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
CHEMBL395110 | 150084 | 42 | None | -8 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
5624 | 32663 | 14 | None | 5 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
CHEMBL1203324 | 32663 | 14 | None | 5 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
CHEMBL141343 | 32663 | 14 | None | 5 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
11694810 | 120513 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310123 | 120513 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545474 | 120513 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
44592109 | 179063 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 6 | 0 | 5 | 4.4 | CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
CHEMBL471663 | 179063 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 6 | 0 | 5 | 4.4 | CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
56645363 | 121464 | 12 | None | -2 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | ||
CHEMBL3582478 | 121464 | 12 | None | -2 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | ||
169713 | 80132 | 20 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 3 | 2 | 2 | 2.6 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1 | 10.1016/j.bmcl.2009.09.002 | ||
CHEMBL21343 | 80132 | 20 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 3 | 2 | 2 | 2.6 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1 | 10.1016/j.bmcl.2009.09.002 | ||
4943 | 193393 | 105 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | nan | ||
CHEMBL526 | 193393 | 105 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | nan | ||
11500509 | 120555 | 0 | None | -3 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343670 | 120555 | 0 | None | -3 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545812 | 120555 | 0 | None | -3 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
4189 | 206899 | 96 | None | -26 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1559 | 206899 | 96 | None | -26 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL91 | 206899 | 96 | None | -26 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
2683 | 102861 | 25 | None | -501 | 16 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL305906 | 102861 | 25 | None | -501 | 16 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL334255 | 102861 | 25 | None | -501 | 16 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
3598 | 187797 | 76 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
CHEMBL496 | 187797 | 76 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
135398745 | 2893 | 112 | None | -5 | 66 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
47 | 2893 | 112 | None | -5 | 66 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
CHEMBL715 | 2893 | 112 | None | -5 | 66 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
DB00334 | 2893 | 112 | None | -5 | 66 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
107715 | 200922 | 22 | None | -14 | 20 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
CHEMBL1255837 | 200922 | 22 | None | -14 | 20 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
CHEMBL601773 | 200922 | 22 | None | -14 | 20 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
122196341 | 124247 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 6.0 | O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1 | 10.1021/acs.jmedchem.5b01240 | ||
CHEMBL3634745 | 124247 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 6.0 | O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1 | 10.1021/acs.jmedchem.5b01240 | ||
10531 | 1408 | 21 | None | -15 | 24 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
121 | 1408 | 21 | None | -15 | 24 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
888 | 1408 | 21 | None | -15 | 24 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
CHEMBL1732 | 1408 | 21 | None | -15 | 24 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
DB00320 | 1408 | 21 | None | -15 | 24 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
1836 | 2574 | 59 | None | -69 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
3340 | 2574 | 59 | None | -69 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
5281040 | 2574 | 59 | None | -69 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
CHEMBL787 | 2574 | 59 | None | -69 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
DB00471 | 2574 | 59 | None | -69 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
14049689 | 198420 | 11 | None | 20 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1541 | 28 | 21 | 42 | -12.4 | CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCC(C)O)O[C@H](O[C@@H]4[C@@H](COCC(C)O)O[C@H](O[C@@H]5[C@@H](COCC(C)O)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](COCC(C)O)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O | nan | ||
CHEMBL577294 | 198420 | 11 | None | 20 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1541 | 28 | 21 | 42 | -12.4 | CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCC(C)O)O[C@H](O[C@@H]4[C@@H](COCC(C)O)O[C@H](O[C@@H]5[C@@H](COCC(C)O)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](COCC(C)O)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O | nan | ||
72198756 | 90853 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 8 | 0 | 5 | 4.8 | COc1ccccc1N1CCN(CCCCCN2Cc3c(Cl)nc4ccccc4c3C2=O)CC1 | 10.1016/j.ejmech.2013.01.044 | ||
CHEMBL2392351 | 90853 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 8 | 0 | 5 | 4.8 | COc1ccccc1N1CCN(CCCCCN2Cc3c(Cl)nc4ccccc4c3C2=O)CC1 | 10.1016/j.ejmech.2013.01.044 | ||
1782 | 2501 | 84 | None | -3 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
241 | 2501 | 84 | None | -3 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
4168 | 2501 | 84 | None | -3 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
CHEMBL86 | 2501 | 84 | None | -3 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
DB01233 | 2501 | 84 | None | -3 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
72713752 | 103716 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 396 | 5 | 2 | 7 | 3.0 | Cc1csc(C(C)(O)c2nnc(NC(=O)Cc3c(F)cccc3F)s2)n1 | 10.1021/jm4012033 | ||
CHEMBL3088176 | 103716 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 396 | 5 | 2 | 7 | 3.0 | Cc1csc(C(C)(O)c2nnc(NC(=O)Cc3c(F)cccc3F)s2)n1 | 10.1021/jm4012033 | ||
90644511 | 111638 | 18 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 2.4 | CNc1nc(Cc2ccccc2)nc2c1CCNC[C@@H]2C | 10.1021/jm5003292 | ||
CHEMBL3286556 | 111638 | 18 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 2.4 | CNc1nc(Cc2ccccc2)nc2c1CCNC[C@@H]2C | 10.1021/jm5003292 | ||
2406 | 100376 | 89 | None | -27 | 12 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
CHEMBL290106 | 100376 | 89 | None | -27 | 12 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
2286 | 3161 | 51 | None | -5 | 30 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
4927 | 3161 | 51 | None | -5 | 30 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
7282 | 3161 | 51 | None | -5 | 30 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL643 | 3161 | 51 | None | -5 | 30 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
DB01069 | 3161 | 51 | None | -5 | 30 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
3198 | 205490 | 76 | None | -30 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 205490 | 76 | None | -30 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 205490 | 76 | None | -30 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
135 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
1796 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
4184 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
CHEMBL6437 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
DB06148 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
180 | 400 | 56 | None | -35 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
200 | 400 | 56 | None | -35 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2160 | 400 | 56 | None | -35 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
CHEMBL629 | 400 | 56 | None | -35 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
DB00321 | 400 | 56 | None | -35 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
4595 | 176691 | 106 | None | 2 | 15 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | nan | ||
CHEMBL46 | 176691 | 106 | None | 2 | 15 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | nan | ||
11536843 | 115097 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343673 | 115097 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
1547484 | 937 | 74 | None | -8 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
654 | 937 | 74 | None | -8 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
9072 | 937 | 74 | None | -8 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL43064 | 937 | 74 | None | -8 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB00568 | 937 | 74 | None | -8 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
102 | 4096 | 48 | None | -93 | 50 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
3659 | 4096 | 48 | None | -93 | 50 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
8969 | 4096 | 48 | None | -93 | 50 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
CHEMBL15245 | 4096 | 48 | None | -93 | 50 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
DB01392 | 4096 | 48 | None | -93 | 50 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
2477 | 742 | 59 | None | -13 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
36 | 742 | 59 | None | -13 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
437 | 742 | 59 | None | -13 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
CHEMBL49 | 742 | 59 | None | -13 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
DB00490 | 742 | 59 | None | -13 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
71499384 | 111122 | 41 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 448 | 8 | 1 | 5 | 4.5 | COc1cc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc(OC)c1OC | 10.1021/jm401431x | ||
CHEMBL3264204 | 111122 | 41 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 448 | 8 | 1 | 5 | 4.5 | COc1cc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc(OC)c1OC | 10.1021/jm401431x | ||
2105 | 3032 | 37 | None | -28 | 33 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
47811 | 3032 | 37 | None | -28 | 33 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
48 | 3032 | 37 | None | -28 | 33 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
CHEMBL531 | 3032 | 37 | None | -28 | 33 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
DB01186 | 3032 | 37 | None | -28 | 33 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
67406727 | 117166 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 525 | 6 | 1 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C(N)=O)c1 | 10.1021/ml500414n | ||
CHEMBL3394201 | 117166 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 525 | 6 | 1 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C(N)=O)c1 | 10.1021/ml500414n | ||
11957735 | 199998 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 4 | 1 | 5 | 4.0 | CN(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)n(-c2cccc(O)c2)n1 | 10.1016/j.bmc.2009.07.007 | ||
CHEMBL595449 | 199998 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 4 | 1 | 5 | 4.0 | CN(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)n(-c2cccc(O)c2)n1 | 10.1016/j.bmc.2009.07.007 | ||
2028 | 2958 | 80 | None | -40 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
359 | 2958 | 80 | None | -40 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
4634 | 2958 | 80 | None | -40 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
CHEMBL1231 | 2958 | 80 | None | -40 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
DB01062 | 2958 | 80 | None | -40 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
31101 | 726 | 40 | None | -26 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
35 | 726 | 40 | None | -26 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
403 | 726 | 40 | None | -26 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
CHEMBL493 | 726 | 40 | None | -26 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
DB01200 | 726 | 40 | None | -26 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
161 | 751 | 6 | None | 2 | 6 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
4284720 | 751 | 6 | None | 2 | 6 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
CHEMBL1255834 | 751 | 6 | None | 2 | 6 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
54764240 | 68839 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 2.7 | CC/C=C1\C[C@H]2CNc3ccccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
CHEMBL1922539 | 68839 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 2.7 | CC/C=C1\C[C@H]2CNc3ccccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
CHEMBL5085055 | 214923 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CCN(C)CCc1cn(C)c2cccc(O)c12 | 10.1021/acsmedchemlett.1c00578 | ||||
4098 | 32475 | 30 | None | -14 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
CHEMBL1255739 | 32475 | 30 | None | -14 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
CHEMBL1411979 | 32475 | 30 | None | -14 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
54764241 | 68838 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.3 | C/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
CHEMBL1922538 | 68838 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.3 | C/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
5282379 | 194961 | 69 | None | 1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | nan | ||
CHEMBL547 | 194961 | 69 | None | 1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | nan | ||
146420029 | 184738 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 4.2 | CN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1 | 10.1016/j.ejmech.2021.113782 | ||
CHEMBL4851044 | 184738 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 4.2 | CN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1 | 10.1016/j.ejmech.2021.113782 | ||
3158 | 56237 | 27 | None | -389 | 20 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
CHEMBL1628227 | 56237 | 27 | None | -389 | 20 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
72197484 | 102467 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 330 | 4 | 2 | 4 | 3.5 | c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 | 10.1016/j.ejmech.2013.02.020 | ||
CHEMBL2393243 | 102467 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 330 | 4 | 2 | 4 | 3.5 | c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 | 10.1016/j.ejmech.2013.02.020 | ||
CHEMBL3040324 | 102467 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 330 | 4 | 2 | 4 | 3.5 | c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 | 10.1016/j.ejmech.2013.02.020 | ||
277 | 1289 | 62 | None | -5 | 46 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2913 | 1289 | 62 | None | -5 | 46 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
765 | 1289 | 62 | None | -5 | 46 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL516 | 1289 | 62 | None | -5 | 46 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
DB00434 | 1289 | 62 | None | -5 | 46 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
1305 | 510 | 14 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
9934033 | 510 | 14 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
CHEMBL182150 | 510 | 14 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
9861687 | 189175 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 315 | 4 | 0 | 5 | 3.7 | CCN1CCC(COc2nc3ccsc3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
CHEMBL511312 | 189175 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 315 | 4 | 0 | 5 | 3.7 | CCN1CCC(COc2nc3ccsc3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
2291 | 3162 | 58 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
2561 | 3162 | 58 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
4932 | 3162 | 58 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
CHEMBL631 | 3162 | 58 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
DB01182 | 3162 | 58 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
176 | 397 | 66 | None | -1 | 31 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2157 | 397 | 66 | None | -1 | 31 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2566 | 397 | 66 | None | -1 | 31 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
CHEMBL633 | 397 | 66 | None | -1 | 31 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
DB01118 | 397 | 66 | None | -1 | 31 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
657255 | 199061 | 34 | None | -9 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
CHEMBL588119 | 199061 | 34 | None | -9 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
3952 | 1875 | 38 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5353646 | 1875 | 38 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5443 | 1875 | 38 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5702063 | 1875 | 38 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL1331786 | 1875 | 38 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL420 | 1875 | 38 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
24360 | 203321 | 106 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 348 | 1 | 1 | 6 | 2.1 | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 | nan | ||
CHEMBL65 | 203321 | 106 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 348 | 1 | 1 | 6 | 2.1 | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 | nan | ||
127048334 | 140575 | 1 | None | 13 | 3 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3813796 | 140575 | 1 | None | 13 | 3 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
10851262 | 40529 | 0 | None | 1 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 293 | 1 | 1 | 3 | 3.7 | Cc1coc2cc3c(cc12)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
CHEMBL148346 | 40529 | 0 | None | 1 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 293 | 1 | 1 | 3 | 3.7 | Cc1coc2cc3c(cc12)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
9972439 | 40581 | 0 | None | -1 | 2 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 3.7 | CCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
CHEMBL148385 | 40581 | 0 | None | -1 | 2 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 3.7 | CCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
10851406 | 119238 | 1 | None | -1 | 2 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.9 | O=C(Nc1cccnc1)N1CCc2cc3sccc3cc21 | 10.1021/jm960571v | ||
CHEMBL343666 | 119238 | 1 | None | -1 | 2 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.9 | O=C(Nc1cccnc1)N1CCc2cc3sccc3cc21 | 10.1021/jm960571v | ||
141 | 1415 | 35 | None | -11 | 22 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm00343a013 | ||
6089 | 1415 | 35 | None | -11 | 22 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm00343a013 | ||
CHEMBL12420 | 1415 | 35 | None | -11 | 22 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm00343a013 | ||
DB01488 | 1415 | 35 | None | -11 | 22 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm00343a013 | ||
12281266 | 31802 | 5 | None | - | 1 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 187 | 3 | 0 | 1 | 3.7 | CC(C)CCn1ccc2ccccc21 | 10.1021/jm00367a008 | ||
CHEMBL140663 | 31802 | 5 | None | - | 1 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 187 | 3 | 0 | 1 | 3.7 | CC(C)CCn1ccc2ccccc21 | 10.1021/jm00367a008 | ||
6088 | 119816 | 56 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 174 | 3 | 2 | 1 | 1.9 | CNCCc1c[nH]c2ccccc12 | 10.1021/jm00343a013 | ||
CHEMBL348588 | 119816 | 56 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 174 | 3 | 2 | 1 | 1.9 | CNCCc1c[nH]c2ccccc12 | 10.1021/jm00343a013 | ||
10637557 | 36241 | 0 | None | 5 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 294 | 1 | 1 | 3 | 2.7 | CN1CCc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
CHEMBL144567 | 36241 | 0 | None | 5 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 294 | 1 | 1 | 3 | 2.7 | CN1CCc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
152234 | 55993 | 22 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1cccc(CC(C)N)c1 | 10.1021/jm00144a009 | ||
CHEMBL16247 | 55993 | 22 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1cccc(CC(C)N)c1 | 10.1021/jm00144a009 | ||
44359526 | 116605 | 1 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 217 | 4 | 0 | 2 | 3.7 | COc1ccc2c(ccn2CCC(C)C)c1 | 10.1021/jm00367a008 | ||
CHEMBL336928 | 116605 | 1 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 217 | 4 | 0 | 2 | 3.7 | COc1ccc2c(ccn2CCC(C)C)c1 | 10.1021/jm00367a008 | ||
44359525 | 28840 | 1 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1ccc2ccn(CCC(C)C)c2c1 | 10.1021/jm00367a008 | ||
CHEMBL137933 | 28840 | 1 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1ccc2ccn(CCC(C)C)c2c1 | 10.1021/jm00367a008 | ||
805647 | 30780 | 12 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 189 | 3 | 0 | 3 | 1.6 | CN(C)CCn1cnc2ccccc21 | 10.1021/jm00367a008 | ||
CHEMBL139655 | 30780 | 12 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 189 | 3 | 0 | 3 | 1.6 | CN(C)CCn1cnc2ccccc21 | 10.1021/jm00367a008 | ||
143435 | 99666 | 6 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
CHEMBL284589 | 99666 | 6 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
62787 | 206165 | 21 | None | -3 | 10 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | 10.1021/jm00144a009 | ||
CHEMBL8642 | 206165 | 21 | None | -3 | 10 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | 10.1021/jm00144a009 | ||
9904139 | 106966 | 1 | None | 1 | 4 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3 | 10.1021/jm960571v | ||
CHEMBL315223 | 106966 | 1 | None | 1 | 4 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3 | 10.1021/jm960571v | ||
31014 | 205868 | 20 | None | 2 | 3 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(OC)c(OC)cc1CC(C)N | 10.1021/jm00144a009 | ||
CHEMBL8389 | 205868 | 20 | None | 2 | 3 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(OC)c(OC)cc1CC(C)N | 10.1021/jm00144a009 | ||
144891 | 107360 | 8 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 241 | 5 | 1 | 4 | 2.3 | COc1cc(OC)c(SC)cc1CC(C)N | 10.1021/jm00144a009 | ||
CHEMBL31787 | 107360 | 8 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 241 | 5 | 1 | 4 | 2.3 | COc1cc(OC)c(SC)cc1CC(C)N | 10.1021/jm00144a009 | ||
9904139 | 106966 | 1 | None | 1 | 4 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3 | 10.1021/jm00014a004 | ||
CHEMBL315223 | 106966 | 1 | None | 1 | 4 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3 | 10.1021/jm00014a004 | ||
141685 | 107021 | 6 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
CHEMBL31557 | 107021 | 6 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
11806221 | 120196 | 1 | None | - | 1 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 220 | 4 | 1 | 3 | 2.2 | COc1ccc2c(c1)C(CCN(C)C)CN2 | 10.1021/jm00343a013 | ||
CHEMBL352140 | 120196 | 1 | None | - | 1 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 220 | 4 | 1 | 3 | 2.2 | COc1ccc2c(c1)C(CCN(C)C)CN2 | 10.1021/jm00343a013 | ||
10757038 | 119208 | 0 | None | 1 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.5 | Cc1cc2cc3c(cc2n1C)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
CHEMBL343455 | 119208 | 0 | None | 1 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.5 | Cc1cc2cc3c(cc2n1C)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
10690384 | 120930 | 0 | None | -3 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 4.7 | O=C(Nc1cccnc1)N1CCc2cc3c(ccn3Cc3ccccc3)cc21 | 10.1021/jm960571v | ||
CHEMBL356146 | 120930 | 0 | None | -3 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 4.7 | O=C(Nc1cccnc1)N1CCc2cc3c(ccn3Cc3ccccc3)cc21 | 10.1021/jm960571v | ||
44359444 | 29098 | 0 | None | - | 1 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 217 | 4 | 0 | 2 | 3.7 | COc1ccc2ccn(CCC(C)C)c2c1 | 10.1021/jm00367a008 | ||
CHEMBL138144 | 29098 | 0 | None | - | 1 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 217 | 4 | 0 | 2 | 3.7 | COc1ccc2ccn(CCC(C)C)c2c1 | 10.1021/jm00367a008 | ||
12655251 | 119283 | 58 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 162 | 2 | 2 | 2 | 1.5 | NCCC1CNc2ccccc21 | 10.1021/jm00367a008 | ||
CHEMBL344028 | 119283 | 58 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 162 | 2 | 2 | 2 | 1.5 | NCCC1CNc2ccccc21 | 10.1021/jm00367a008 | ||
11074217 | 52777 | 4 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 190 | 3 | 1 | 2 | 2.1 | CN(C)CCC1CNc2ccccc21 | 10.1021/jm00343a013 | ||
CHEMBL159503 | 52777 | 4 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 190 | 3 | 1 | 2 | 2.1 | CN(C)CCC1CNc2ccccc21 | 10.1021/jm00343a013 | ||
547452 | 54761 | 2 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 187 | 3 | 0 | 1 | 2.6 | CN(C)CCC1=CCc2ccccc21 | 10.1021/jm00343a013 | ||
CHEMBL161241 | 54761 | 2 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 187 | 3 | 0 | 1 | 2.6 | CN(C)CCC1=CCc2ccccc21 | 10.1021/jm00343a013 | ||
12451869 | 55154 | 5 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 175 | 3 | 1 | 1 | 2.3 | CNCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
CHEMBL161751 | 55154 | 5 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 175 | 3 | 1 | 1 | 2.3 | CNCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
144889 | 99296 | 6 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(OC)c(CC(C)N)cc1C | 10.1021/jm00144a009 | ||
CHEMBL282183 | 99296 | 6 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(OC)c(CC(C)N)cc1C | 10.1021/jm00144a009 | ||
34677 | 102192 | 88 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 147 | 0 | 1 | 1 | 1.5 | NC1CCc2ccccc2C1 | 10.1021/jm00343a013 | ||
CHEMBL30294 | 102192 | 88 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 147 | 0 | 1 | 1 | 1.5 | NC1CCc2ccccc2C1 | 10.1021/jm00343a013 | ||
141047 | 99378 | 20 | None | 1 | 3 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(CC(C)N)c(OC)c1 | 10.1021/jm00144a009 | ||
CHEMBL282734 | 99378 | 20 | None | 1 | 3 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(CC(C)N)c(OC)c1 | 10.1021/jm00144a009 | ||
31016 | 102260 | 15 | None | -11 | 5 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | 10.1021/jm00144a009 | ||
CHEMBL30336 | 102260 | 15 | None | -11 | 5 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | 10.1021/jm00144a009 | ||
15011362 | 52616 | 24 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | NCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
CHEMBL159346 | 52616 | 24 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | NCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
744368 | 164905 | 18 | None | - | 1 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 190 | 3 | 0 | 2 | 1.6 | CN(C)CCN1CCc2ccccc21 | 10.1021/jm00367a008 | ||
CHEMBL422471 | 164905 | 18 | None | - | 1 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 190 | 3 | 0 | 2 | 1.6 | CN(C)CCN1CCc2ccccc21 | 10.1021/jm00367a008 | ||
159755 | 57065 | 61 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1ccccc1CC(C)N | 10.1021/jm00144a009 | ||
CHEMBL16451 | 57065 | 61 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1ccccc1CC(C)N | 10.1021/jm00144a009 | ||
91255 | 99083 | 11 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1cccc(CC(C)N)c1OC | 10.1021/jm00144a009 | ||
CHEMBL280855 | 99083 | 11 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1cccc(CC(C)N)c1OC | 10.1021/jm00144a009 | ||
189 | 3466 | 39 | None | 2 | 17 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm960571v | ||
5163 | 3466 | 39 | None | 2 | 17 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm960571v | ||
CHEMBL297784 | 3466 | 39 | None | 2 | 17 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm960571v | ||
189 | 3466 | 39 | None | 2 | 17 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm00014a004 | ||
5163 | 3466 | 39 | None | 2 | 17 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm00014a004 | ||
CHEMBL297784 | 3466 | 39 | None | 2 | 17 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm00014a004 | ||
10683987 | 121252 | 1 | None | 3 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 278 | 1 | 2 | 2 | 3.2 | O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc21 | 10.1021/jm960571v | ||
CHEMBL357870 | 121252 | 1 | None | 3 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 278 | 1 | 2 | 2 | 3.2 | O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc21 | 10.1021/jm960571v | ||
1614 | 203632 | 24 | None | -2 | 10 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | 10.1021/jm00144a009 | ||
CHEMBL6731 | 203632 | 24 | None | -2 | 10 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | 10.1021/jm00144a009 | ||
8423 | 98661 | 30 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
CHEMBL277540 | 98661 | 30 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
126769 | 206019 | 42 | None | -1 | 5 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00014a004 | ||
CHEMBL536255 | 206019 | 42 | None | -1 | 5 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00014a004 | ||
CHEMBL85194 | 206019 | 42 | None | -1 | 5 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00014a004 | ||
12451869 | 55154 | 5 | None | - | 1 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 175 | 3 | 1 | 1 | 2.3 | CNCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
CHEMBL161751 | 55154 | 5 | None | - | 1 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 175 | 3 | 1 | 1 | 2.3 | CNCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
155 | 725 | 25 | None | -10 | 13 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
163 | 725 | 25 | None | -10 | 13 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
62065 | 725 | 25 | None | -10 | 13 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
CHEMBL6607 | 725 | 25 | None | -10 | 13 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
DB01484 | 725 | 25 | None | -10 | 13 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
44375004 | 52976 | 1 | None | - | 1 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 189 | 3 | 0 | 1 | 2.7 | CN(C)CCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
CHEMBL159689 | 52976 | 1 | None | - | 1 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 189 | 3 | 0 | 1 | 2.7 | CN(C)CCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
44359477 | 116408 | 0 | None | - | 1 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1cccc2ccn(CCC(C)C)c12 | 10.1021/jm00367a008 | ||
CHEMBL336042 | 116408 | 0 | None | - | 1 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1cccc2ccn(CCC(C)C)c12 | 10.1021/jm00367a008 | ||
77042 | 188333 | 58 | None | - | 1 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 177 | 4 | 0 | 2 | 1.8 | CN(C)CCC(=O)c1ccccc1 | 10.1021/jm00343a013 | ||
CHEMBL50115 | 188333 | 58 | None | - | 1 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 177 | 4 | 0 | 2 | 1.8 | CN(C)CCC(=O)c1ccccc1 | 10.1021/jm00343a013 | ||
31015 | 118389 | 16 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(OC)c(CC(C)N)c(OC)c1 | 10.1021/jm00144a009 | ||
CHEMBL34108 | 118389 | 16 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(OC)c(CC(C)N)c(OC)c1 | 10.1021/jm00144a009 | ||
10335310 | 205980 | 0 | None | 75 | 2 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.6 | Cn1ccc2cc3c(cc21)CCCN3C(=O)Nc1cccnc1 | 10.1021/jm00014a004 | ||
CHEMBL84888 | 205980 | 0 | None | 75 | 2 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.6 | Cn1ccc2cc3c(cc21)CCCN3C(=O)Nc1cccnc1 | 10.1021/jm00014a004 | ||
33984 | 29610 | 40 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 192 | 5 | 0 | 2 | 2.1 | CCN(CCN(C)C)c1ccccc1 | 10.1021/jm00367a008 | ||
CHEMBL138604 | 29610 | 40 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 192 | 5 | 0 | 2 | 2.1 | CCN(CCN(C)C)c1ccccc1 | 10.1021/jm00367a008 | ||
1150 | 3849 | 121 | None | -8 | 25 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 10.1021/jm00343a013 | ||
125 | 3849 | 121 | None | -8 | 25 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 10.1021/jm00343a013 | ||
CHEMBL6640 | 3849 | 121 | None | -8 | 25 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 10.1021/jm00343a013 | ||
DB08653 | 3849 | 121 | None | -8 | 25 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 10.1021/jm00343a013 | ||
3007 | 155661 | 27 | None | -1 | 6 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 135 | 2 | 1 | 1 | 1.6 | CC(N)Cc1ccccc1 | 10.1021/jm00144a009 | ||
CHEMBL405 | 155661 | 27 | None | -1 | 6 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 135 | 2 | 1 | 1 | 1.6 | CC(N)Cc1ccccc1 | 10.1021/jm00144a009 | ||
127035062 | 136426 | 0 | None | -4 | 19 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735756 | 136426 | 0 | None | -4 | 19 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
10591799 | 39920 | 0 | None | 1 | 2 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.2 | CC(C)n1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
CHEMBL147820 | 39920 | 0 | None | 1 | 2 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.2 | CC(C)n1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
44363813 | 40530 | 0 | None | 19 | 2 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 305 | 1 | 1 | 2 | 4.1 | Cc1cn(C)c2cc3c(cc12)N(C(=O)Nc1ccccc1)CC3 | 10.1021/jm960571v | ||
CHEMBL148347 | 40530 | 0 | None | 19 | 2 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 305 | 1 | 1 | 2 | 4.1 | Cc1cn(C)c2cc3c(cc12)N(C(=O)Nc1ccccc1)CC3 | 10.1021/jm960571v | ||
10335309 | 206023 | 0 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.6 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CCC3 | 10.1021/jm00014a004 | ||
CHEMBL85247 | 206023 | 0 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.6 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CCC3 | 10.1021/jm00014a004 | ||
31721 | 98794 | 42 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1ccc(CC(C)N)cc1 | 10.1021/jm00144a009 | ||
CHEMBL278663 | 98794 | 42 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1ccc(CC(C)N)cc1 | 10.1021/jm00144a009 | ||
10495940 | 78829 | 0 | None | 1 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.0 | CCCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
CHEMBL2112859 | 78829 | 0 | None | 1 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.0 | CCCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
44359524 | 28838 | 1 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1cccc2c1ccn2CCC(C)C | 10.1021/jm00367a008 | ||
CHEMBL137932 | 28838 | 1 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1cccc2c1ccn2CCC(C)C | 10.1021/jm00367a008 | ||
164 | 1448 | 19 | None | -3 | 10 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
85875 | 1448 | 19 | None | -3 | 10 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
CHEMBL8600 | 1448 | 19 | None | -3 | 10 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
DB01528 | 1448 | 19 | None | -3 | 10 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
141048 | 102842 | 9 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1cccc(OC)c1CC(C)N | 10.1021/jm00144a009 | ||
CHEMBL30577 | 102842 | 9 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1cccc(OC)c1CC(C)N | 10.1021/jm00144a009 | ||
25187 | 100271 | 28 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 163 | 4 | 0 | 1 | 2.2 | CN(C)CCCc1ccccc1 | 10.1021/jm00343a013 | ||
CHEMBL289199 | 100271 | 28 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 163 | 4 | 0 | 1 | 2.2 | CN(C)CCCc1ccccc1 | 10.1021/jm00343a013 | ||
44359556 | 119402 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 220 | 4 | 1 | 3 | 2.2 | COc1ccc2c(c1)NCC2CCN(C)C | 10.1021/jm00367a008 | ||
CHEMBL344878 | 119402 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 220 | 4 | 1 | 3 | 2.2 | COc1ccc2c(c1)NCC2CCN(C)C | 10.1021/jm00367a008 | ||
145 | 140 | 49 | None | -16 | 30 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm00343a013 | ||
1832 | 140 | 49 | None | -16 | 30 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm00343a013 | ||
CHEMBL7257 | 140 | 49 | None | -16 | 30 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm00343a013 | ||
DB14010 | 140 | 49 | None | -16 | 30 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm00343a013 | ||
31012 | 103091 | 17 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1ccc(CC(C)N)c(OC)c1OC | 10.1021/jm00144a009 | ||
CHEMBL30777 | 103091 | 17 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1ccc(CC(C)N)c(OC)c1OC | 10.1021/jm00144a009 | ||
81206 | 29619 | 37 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 164 | 4 | 1 | 2 | 1.7 | CN(C)CCNc1ccccc1 | 10.1021/jm00367a008 | ||
CHEMBL138614 | 29619 | 37 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 164 | 4 | 1 | 2 | 1.7 | CN(C)CCNc1ccccc1 | 10.1021/jm00367a008 | ||
81206 | 29619 | 37 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 164 | 4 | 1 | 2 | 1.7 | CN(C)CCNc1ccccc1 | 10.1021/jm00343a013 | ||
CHEMBL138614 | 29619 | 37 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 164 | 4 | 1 | 2 | 1.7 | CN(C)CCNc1ccccc1 | 10.1021/jm00343a013 | ||
CHEMBL5270056 | 193593 | 0 | None | 100 | 2 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 428 | 4 | 2 | 3 | 5.0 | COc1ccc(CC2NCCc3c2[nH]c2c(C)c(C)ccc32)c(Br)c1OC | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL5277645 | 193917 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 368 | 5 | 2 | 4 | 4.3 | COc1ccc(CC2NCCc3c2[nH]c2cccc(SC)c32)cc1OC | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL5279881 | 194018 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 350 | 5 | 2 | 3 | 4.2 | CCc1cccc2[nH]c3c(c12)CCNC3Cc1ccc(OC)c(OC)c1 | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL5280131 | 194029 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 448 | 4 | 2 | 3 | 4.2 | COc1ccc(CC2NCCc3c2[nH]c2cccc(I)c32)cc1OC | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL5284094 | 194220 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 336 | 4 | 2 | 3 | 3.9 | COc1ccc(CC2NCCc3c2[nH]c2cccc(C)c32)cc1OC | 10.1021/acs.jmedchem.0c01887 | ||
11666595 | 120506 | 0 | None | 301 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1c(Cl)cccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310115 | 120506 | 0 | None | 301 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1c(Cl)cccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545467 | 120506 | 0 | None | 301 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1c(Cl)cccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
9839057 | 41364 | 4 | None | -9 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 293 | 2 | 1 | 3 | 3.8 | CC(N)Cc1c2ccoc2c(Br)c2ccoc12 | 10.1021/jm9803525 | ||
CHEMBL149024 | 41364 | 4 | None | -9 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 293 | 2 | 1 | 3 | 3.8 | CC(N)Cc1c2ccoc2c(Br)c2ccoc12 | 10.1021/jm9803525 | ||
9953185 | 207596 | 4 | None | 1 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 370 | 4 | 2 | 3 | 4.6 | COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC | 10.1021/acs.jmedchem.2c00633 | ||
CHEMBL95121 | 207596 | 4 | None | 1 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 370 | 4 | 2 | 3 | 4.6 | COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC | 10.1021/acs.jmedchem.2c00633 | ||
10597927 | 207508 | 0 | None | 93 | 2 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 414 | 4 | 2 | 3 | 4.7 | COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL94644 | 207508 | 0 | None | 93 | 2 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 414 | 4 | 2 | 3 | 4.7 | COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC | 10.1021/acs.jmedchem.0c01887 | ||
10618362 | 207511 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 358 | 4 | 2 | 3 | 3.9 | COc1ccc(CC2NCCc3c2[nH]c2c(F)cc(F)cc32)cc1OC | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL94655 | 207511 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 358 | 4 | 2 | 3 | 3.9 | COc1ccc(CC2NCCc3c2[nH]c2c(F)cc(F)cc32)cc1OC | 10.1021/acs.jmedchem.0c01887 | ||
9953185 | 207596 | 4 | None | -1 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 370 | 4 | 2 | 3 | 4.6 | COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL95121 | 207596 | 4 | None | -1 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 370 | 4 | 2 | 3 | 4.6 | COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC | 10.1021/acs.jmedchem.0c01887 | ||
10760338 | 207823 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 350 | 4 | 2 | 3 | 4.2 | COc1ccc(CC2NCCc3c2[nH]c2c(C)cc(C)cc32)cc1OC | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL96427 | 207823 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 350 | 4 | 2 | 3 | 4.2 | COc1ccc(CC2NCCc3c2[nH]c2c(C)cc(C)cc32)cc1OC | 10.1021/acs.jmedchem.0c01887 | ||
10569875 | 207839 | 0 | None | 15 | 2 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 350 | 4 | 2 | 3 | 4.2 | COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL96480 | 207839 | 0 | None | 15 | 2 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 350 | 4 | 2 | 3 | 4.2 | COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC | 10.1021/acs.jmedchem.0c01887 | ||
133 | 2479 | 52 | None | -2 | 43 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
1723 | 2479 | 52 | None | -2 | 43 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
28693 | 2479 | 52 | None | -2 | 43 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
CHEMBL19215 | 2479 | 52 | None | -2 | 43 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
DB13520 | 2479 | 52 | None | -2 | 43 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
188 | 3366 | 80 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1021/acs.jmedchem.2c00633 | ||
196968 | 3366 | 80 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1021/acs.jmedchem.2c00633 | ||
CHEMBL473186 | 3366 | 80 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1021/acs.jmedchem.2c00633 | ||
70772974 | 191465 | 6 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 369 | 3 | 2 | 3 | 3.8 | Cc1c(C(=O)N2CCC(c3ncc[nH]3)CC2)n[nH]c1-c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.2c00633 | ||
CHEMBL5193649 | 191465 | 6 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 369 | 3 | 2 | 3 | 3.8 | Cc1c(C(=O)N2CCC(c3ncc[nH]3)CC2)n[nH]c1-c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.2c00633 | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
242 | 469 | 124 | None | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2016.05.053 | ||
34 | 469 | 124 | None | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2016.05.053 | ||
60795 | 469 | 124 | None | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL1112 | 469 | 124 | None | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2016.05.053 | ||
DB01238 | 469 | 124 | None | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2016.05.053 | ||
11393666 | 192962 | 0 | None | 1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
CHEMBL5201983 | 192962 | 0 | None | 1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
CHEMBL5222597 | 192962 | 0 | None | 1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
11978813 | 718 | 79 | None | -2 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.1016/j.ejmech.2019.111736 | ||
5014 | 718 | 79 | None | -2 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.1016/j.ejmech.2019.111736 | ||
7672 | 718 | 79 | None | -2 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.1016/j.ejmech.2019.111736 | ||
CHEMBL2105760 | 718 | 79 | None | -2 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.1016/j.ejmech.2019.111736 | ||
DB09128 | 718 | 79 | None | -2 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.1016/j.ejmech.2019.111736 | ||
11465618 | 102371 | 23 | None | -1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
CHEMBL3039528 | 102371 | 23 | None | -1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
CHEMBL5191141 | 102371 | 23 | None | -1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
10686579 | 112336 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 312 | 2 | 2 | 1 | 4.8 | c1ccc2c(CC3NCCc4c3[nH]c3ccccc43)cccc2c1 | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL329479 | 112336 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 312 | 2 | 2 | 1 | 4.8 | c1ccc2c(CC3NCCc4c3[nH]c3ccccc43)cccc2c1 | 10.1021/acs.jmedchem.0c01887 | ||
23151734 | 103931 | 0 | None | 467 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 265 | 1 | 2 | 2 | 1.3 | NC(N)=NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092758 | 103931 | 0 | None | 467 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 265 | 1 | 2 | 2 | 1.3 | NC(N)=NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
11687730 | 120559 | 0 | None | 9 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 277 | 1 | 2 | 1 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343668 | 120559 | 0 | None | 9 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 277 | 1 | 2 | 1 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545816 | 120559 | 0 | None | 9 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 277 | 1 | 2 | 1 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
71528206 | 86942 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 314 | 3 | 0 | 4 | 2.8 | COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
CHEMBL2323581 | 86942 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 314 | 3 | 0 | 4 | 2.8 | COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
56597938 | 3909 | 3 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm300603y | ||
7651 | 3909 | 3 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm300603y | ||
CHEMBL2165126 | 3909 | 3 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm300603y | ||
56597090 | 81954 | 0 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 7 | 0 | 4 | 6.6 | Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl | 10.1021/jm300603y | ||
CHEMBL2165137 | 81954 | 0 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 7 | 0 | 4 | 6.6 | Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl | 10.1021/jm300603y | ||
56597938 | 3909 | 3 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
7651 | 3909 | 3 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
CHEMBL2165126 | 3909 | 3 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
118706290 | 120507 | 0 | None | 128 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1C(O)c1cc(C(=O)N=C(N)N)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310116 | 120507 | 0 | None | 128 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1C(O)c1cc(C(=O)N=C(N)N)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545468 | 120507 | 0 | None | 128 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1C(O)c1cc(C(=O)N=C(N)N)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
118706734 | 120500 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 309 | 2 | 3 | 2 | 1.9 | CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310714 | 120500 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 309 | 2 | 3 | 2 | 1.9 | CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545444 | 120500 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 309 | 2 | 3 | 2 | 1.9 | CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
150 | 2492 | 21 | None | 1 | 16 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
1764 | 2492 | 21 | None | 1 | 16 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
8226 | 2492 | 21 | None | 1 | 16 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
CHEMBL1201356 | 2492 | 21 | None | 1 | 16 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
DB00353 | 2492 | 21 | None | 1 | 16 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
118706282 | 120504 | 0 | None | 17 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310111 | 120504 | 0 | None | 17 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545465 | 120504 | 0 | None | 17 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
118706299 | 120511 | 0 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 269 | 1 | 3 | 2 | 2.3 | N=C(N)NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310121 | 120511 | 0 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 269 | 1 | 3 | 2 | 2.3 | N=C(N)NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545472 | 120511 | 0 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 269 | 1 | 3 | 2 | 2.3 | N=C(N)NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
118706284 | 120498 | 0 | None | 31 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 285 | 1 | 3 | 2 | 1.3 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310112 | 120498 | 0 | None | 31 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 285 | 1 | 3 | 2 | 1.3 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545440 | 120498 | 0 | None | 31 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 285 | 1 | 3 | 2 | 1.3 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
150 | 2492 | 21 | None | 1 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
1764 | 2492 | 21 | None | 1 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
8226 | 2492 | 21 | None | 1 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
CHEMBL1201356 | 2492 | 21 | None | 1 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
DB00353 | 2492 | 21 | None | 1 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
71528205 | 86941 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 368 | 5 | 1 | 4 | 2.2 | CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
CHEMBL2323580 | 86941 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 368 | 5 | 1 | 4 | 2.2 | CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
71528204 | 86940 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 439 | 6 | 1 | 5 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
CHEMBL2323579 | 86940 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 439 | 6 | 1 | 5 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
11358099 | 180382 | 0 | None | 3 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 285 | 3 | 1 | 4 | 2.8 | COc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4752099 | 180382 | 0 | None | 3 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 285 | 3 | 1 | 4 | 2.8 | COc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
11460460 | 182338 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 2 | 1 | 3 | 3.5 | CC(C)n1nc2c(c1-c1ccc(Cl)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4784845 | 182338 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 2 | 1 | 3 | 3.5 | CC(C)n1nc2c(c1-c1ccc(Cl)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
9954003 | 71671 | 24 | None | -1 | 9 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 422 | 5 | 2 | 4 | 3.8 | C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O | 10.1021/jm070516u | ||
CHEMBL196514 | 71671 | 24 | None | -1 | 9 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 422 | 5 | 2 | 4 | 3.8 | C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O | 10.1021/jm070516u | ||
16062782 | 97805 | 0 | None | 2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 307 | 2 | 1 | 3 | 3.8 | Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL272082 | 97805 | 0 | None | 2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 307 | 2 | 1 | 3 | 3.8 | Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
59757163 | 106315 | 0 | None | 218 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092760 | 106315 | 0 | None | 218 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3139189 | 106315 | 0 | None | 218 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
118706732 | 120501 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 295 | 1 | 3 | 2 | 1.6 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310713 | 120501 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 295 | 1 | 3 | 2 | 1.6 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545445 | 120501 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 295 | 1 | 3 | 2 | 1.6 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
56593482 | 3910 | 3 | None | 1 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 4.6 | O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
7650 | 3910 | 3 | None | 1 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 4.6 | O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
CHEMBL2165119 | 3910 | 3 | None | 1 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 4.6 | O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
10568771 | 102762 | 2 | None | -5 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
CHEMBL305275 | 102762 | 2 | None | -5 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
CHEMBL6710 | 102762 | 2 | None | -5 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
242 | 469 | 124 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm070516u | ||
34 | 469 | 124 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm070516u | ||
60795 | 469 | 124 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm070516u | ||
CHEMBL1112 | 469 | 124 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm070516u | ||
DB01238 | 469 | 124 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm070516u | ||
11658860 | 2329 | 51 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2012.10.091 | ||
2941 | 2329 | 51 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2012.10.091 | ||
4374 | 2329 | 51 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL360328 | 2329 | 51 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2012.10.091 | ||
DB04871 | 2329 | 51 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2012.10.091 | ||
37 | 775 | 60 | None | 1 | 17 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1021/ml3003814 | ||
460 | 775 | 60 | None | 1 | 17 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1021/ml3003814 | ||
54746 | 775 | 60 | None | 1 | 17 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1021/ml3003814 | ||
CHEMBL1201087 | 775 | 60 | None | 1 | 17 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1021/ml3003814 | ||
DB00248 | 775 | 60 | None | 1 | 17 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1021/ml3003814 | ||
242 | 469 | 124 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
34 | 469 | 124 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
60795 | 469 | 124 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
CHEMBL1112 | 469 | 124 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
DB01238 | 469 | 124 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
118706278 | 120497 | 0 | None | 26 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(Cl)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310109 | 120497 | 0 | None | 26 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(Cl)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545439 | 120497 | 0 | None | 26 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(Cl)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
2865 | 4112 | 73 | None | -12 | 54 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1021/jm070516u | ||
59 | 4112 | 73 | None | -12 | 54 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1021/jm070516u | ||
60854 | 4112 | 73 | None | -12 | 54 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1021/jm070516u | ||
CHEMBL708 | 4112 | 73 | None | -12 | 54 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1021/jm070516u | ||
DB00246 | 4112 | 73 | None | -12 | 54 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1021/jm070516u | ||
9888211 | 21384 | 13 | None | -1 | 10 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 417 | 6 | 1 | 3 | 4.5 | O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm070516u | ||
CHEMBL131495 | 21384 | 13 | None | -1 | 10 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 417 | 6 | 1 | 3 | 4.5 | O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm070516u | ||
10568771 | 102762 | 2 | None | -5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
CHEMBL305275 | 102762 | 2 | None | -5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
CHEMBL6710 | 102762 | 2 | None | -5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
10017554 | 4309 | 29 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm9803525 | ||
CHEMBL101008 | 4309 | 29 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm9803525 | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
118706285 | 112861 | 0 | None | 2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 295 | 2 | 3 | 2 | 1.7 | CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310113 | 112861 | 0 | None | 2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 295 | 2 | 3 | 2 | 1.7 | CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
135399866 | 72026 | 2 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | C[C@H](N)Cn1ncc2ccc(O)c(F)c21 | 10.1021/jm050663x | ||
CHEMBL197653 | 72026 | 2 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | C[C@H](N)Cn1ncc2ccc(O)c(F)c21 | 10.1021/jm050663x | ||
118464429 | 167093 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 383 | 1 | 3 | 5 | 2.6 | NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4290245 | 167093 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 383 | 1 | 3 | 5 | 2.6 | NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
127048333 | 140655 | 1 | None | 38 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3815112 | 140655 | 1 | None | 38 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
118706280 | 120503 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cc(Cl)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310110 | 120503 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cc(Cl)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545464 | 120503 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cc(Cl)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
118717220 | 120554 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 305 | 1 | 2 | 1 | 2.9 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343669 | 120554 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 305 | 1 | 2 | 1 | 2.9 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545811 | 120554 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 305 | 1 | 2 | 1 | 2.9 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
72734860 | 103930 | 0 | None | 6 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092753 | 103930 | 0 | None | 6 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
11277147 | 106314 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092759 | 106314 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3139188 | 106314 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
11277147 | 106314 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3092759 | 106314 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3139188 | 106314 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.ejmech.2019.111736 | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.ejmech.2019.111736 | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.ejmech.2019.111736 | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.ejmech.2019.111736 | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.ejmech.2019.111736 | ||
206 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/S0960-894X(96)00503-3 | ||
68848 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL12314 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/S0960-894X(96)00503-3 | ||
192 | 3476 | 54 | None | -10 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10.1021/jm990388c | ||
443390 | 3476 | 54 | None | -10 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10.1021/jm990388c | ||
CHEMBL14276 | 3476 | 54 | None | -10 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10.1021/jm990388c | ||
10573762 | 98755 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2 | 10.1021/jm990388c | ||
CHEMBL278267 | 98755 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2 | 10.1021/jm990388c | ||
10670813 | 162567 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 441 | 4 | 1 | 3 | 5.9 | CCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1 | 10.1021/jm990388c | ||
CHEMBL416896 | 162567 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 441 | 4 | 1 | 3 | 5.9 | CCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1 | 10.1021/jm990388c | ||
44397929 | 67151 | 0 | None | -6 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.0 | Cc1c(Cl)ccc2c1N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL187739 | 67151 | 0 | None | -6 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.0 | Cc1c(Cl)ccc2c1N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
10808965 | 100303 | 0 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.8 | CCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
CHEMBL289436 | 100303 | 0 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.8 | CCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
46230098 | 199306 | 0 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1cccc2c1C(=O)NC1CCNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590580 | 199306 | 0 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1cccc2c1C(=O)NC1CCNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
18931422 | 207369 | 0 | None | -50 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 435 | 8 | 2 | 5 | 3.4 | COc1ccc(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL93862 | 207369 | 0 | None | -50 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 435 | 8 | 2 | 5 | 3.4 | COc1ccc(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
10740494 | 35109 | 0 | None | -12 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14345 | 35109 | 0 | None | -12 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
10764263 | 40856 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14863 | 40856 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2 | 10.1021/jm990388c | ||
10740495 | 98601 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)nc1)CC2 | 10.1021/jm990388c | ||
CHEMBL277111 | 98601 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)nc1)CC2 | 10.1021/jm990388c | ||
122178705 | 121345 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 411 | 7 | 0 | 5 | 5.0 | CCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581250 | 121345 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 411 | 7 | 0 | 5 | 5.0 | CCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
59395105 | 106313 | 1 | None | 4 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 252 | 1 | 3 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)[nH]c1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092755 | 106313 | 1 | None | 4 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 252 | 1 | 3 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)[nH]c1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3139187 | 106313 | 1 | None | 4 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 252 | 1 | 3 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)[nH]c1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
118729272 | 120684 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402680 | 120684 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547158 | 120684 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
44214724 | 194963 | 0 | None | -19 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.4 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cnccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL54707 | 194963 | 0 | None | -19 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.4 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cnccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.1c00726 | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.1c00726 | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.1c00726 | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.1c00726 | ||
24841480 | 183875 | 0 | None | -50 | 20 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL481153 | 183875 | 0 | None | -50 | 20 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
193 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
3644637 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
CHEMBL14563 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
194 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
443391 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
CHEMBL14460 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
193 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
3644637 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL14563 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
194 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
443391 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL14460 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL5285512 | 194276 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 327 | 2 | 1 | 3 | 4.9 | COc1ccc2[nH]c3c(-c4cn(C)c5ccccc45)nccc3c2c1 | 10.1021/acs.jmedchem.0c01887 | ||
193 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
3644637 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL14563 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
194 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
443391 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL14460 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
44298230 | 194579 | 0 | None | -79 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 492 | 3 | 1 | 4 | 6.0 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(C(F)(F)F)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL53152 | 194579 | 0 | None | -79 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 492 | 3 | 1 | 4 | 6.0 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(C(F)(F)F)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
44298022 | 195535 | 0 | None | -63 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.8 | CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL55472 | 195535 | 0 | None | -63 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.8 | CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
18931133 | 168007 | 0 | None | -10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COc1cc(OC)c(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL432217 | 168007 | 0 | None | -10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COc1cc(OC)c(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
145977338 | 163693 | 0 | None | 19 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 3 | 2 | 4 | 2.2 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)CS1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4205064 | 163693 | 0 | None | 19 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 3 | 2 | 4 | 2.2 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)CS1 | 10.1021/acs.jnatprod.7b00317 | ||
145963830 | 164099 | 0 | None | 7 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 335 | 4 | 2 | 4 | 4.0 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(c2ccccc2)S1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4209942 | 164099 | 0 | None | 7 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 335 | 4 | 2 | 4 | 4.0 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(c2ccccc2)S1 | 10.1021/acs.jnatprod.7b00317 | ||
193 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm970424c | ||
3644637 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm970424c | ||
CHEMBL14563 | 3480 | 46 | None | -707 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm970424c | ||
11419526 | 88027 | 0 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3ccc(Cl)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL234533 | 88027 | 0 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3ccc(Cl)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
16215237 | 88146 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.6 | COc1ccc(N2Cc3cc(Cl)c(Cl)c(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL234738 | 88146 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.6 | COc1ccc(N2Cc3cc(Cl)c(Cl)c(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
10503674 | 98797 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.6 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3c(F)cccc3F)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL278685 | 98797 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.6 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3c(F)cccc3F)c1)CC2 | 10.1021/jm990388c | ||
9813197 | 96506 | 6 | None | -11 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 215 | 0 | 1 | 1 | 2.7 | Clc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL262862 | 96506 | 6 | None | -11 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 215 | 0 | 1 | 1 | 2.7 | Clc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
25122651 | 200226 | 0 | None | -23 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 3.5 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1 | 10.1021/jm901674f | ||
CHEMBL597002 | 200226 | 0 | None | -23 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 3.5 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1 | 10.1021/jm901674f | ||
67268994 | 163944 | 2 | None | -3 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 247 | 1 | 2 | 2 | 2.4 | Clc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
CHEMBL4207884 | 163944 | 2 | None | -3 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 247 | 1 | 2 | 2 | 2.4 | Clc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
44298108 | 100897 | 0 | None | -39 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL293937 | 100897 | 0 | None | -39 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
44298092 | 101942 | 0 | None | -19 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 400 | 4 | 1 | 5 | 4.7 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccs3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL301409 | 101942 | 0 | None | -19 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 400 | 4 | 1 | 5 | 4.7 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccs3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
162663486 | 181975 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.7 | O=c1cc(CCCc2cccc(C(F)(F)F)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4780527 | 181975 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.7 | O=c1cc(CCCc2cccc(C(F)(F)F)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
162672422 | 183157 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 310 | 5 | 1 | 4 | 3.7 | COc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4795598 | 183157 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 310 | 5 | 1 | 4 | 3.7 | COc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1 | 10.1016/j.bmcl.2020.127511 | ||
24888181 | 80095 | 0 | None | -158 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL213272 | 80095 | 0 | None | -158 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
24887525 | 80340 | 1 | None | -199 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 5.6 | COc1ccc(N2CCC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL214398 | 80340 | 1 | None | -199 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 5.6 | COc1ccc(N2CCC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
9888494 | 98143 | 0 | None | -446 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 422 | 4 | 1 | 5 | 3.6 | O=C1c2ccccc2CCCN1CCN1CCC(n2c(O)nc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(03)00077-5 | ||
CHEMBL273921 | 98143 | 0 | None | -446 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 422 | 4 | 1 | 5 | 3.6 | O=C1c2ccccc2CCCN1CCN1CCC(n2c(O)nc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(03)00077-5 | ||
11168182 | 3508 | 25 | None | -158 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 511 | 14 | 1 | 3 | 6.5 | CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C | 10.1016/j.bmcl.2005.06.024 | ||
264 | 3508 | 25 | None | -158 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 511 | 14 | 1 | 3 | 6.5 | CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C | 10.1016/j.bmcl.2005.06.024 | ||
CHEMBL1181770 | 3508 | 25 | None | -158 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 511 | 14 | 1 | 3 | 6.5 | CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C | 10.1016/j.bmcl.2005.06.024 | ||
6918648 | 101532 | 1 | None | -1621 | 14 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1021/jm980532e | ||
CHEMBL29846 | 101532 | 1 | None | -1621 | 14 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1021/jm980532e | ||
145972374 | 164650 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4216860 | 164650 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
136054961 | 57289 | 4 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 220 | 2 | 2 | 4 | 1.6 | NC(=O)c1csc(-c2ccccc2O)n1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL1651091 | 57289 | 4 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 220 | 2 | 2 | 4 | 1.6 | NC(=O)c1csc(-c2ccccc2O)n1 | 10.1021/acs.jnatprod.7b00317 | ||
153287535 | 174876 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 219 | 0 | 1 | 3 | 2.0 | CN1CC[C@H]2c3ccc(O)cc3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4564308 | 174876 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 219 | 0 | 1 | 3 | 2.0 | CN1CC[C@H]2c3ccc(O)cc3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
23462894 | 157207 | 3 | None | -15 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 240 | 1 | 0 | 3 | 2.3 | CN1CCc2ccc([N+](=O)[O-])c(Cl)c2CC1 | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL407636 | 157207 | 3 | None | -15 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 240 | 1 | 0 | 3 | 2.3 | CN1CCc2ccc([N+](=O)[O-])c(Cl)c2CC1 | 10.1016/j.bmc.2007.12.009 | ||
9934284 | 90267 | 0 | None | -2511 | 10 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
CHEMBL238520 | 90267 | 0 | None | -2511 | 10 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
76325517 | 105705 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 272 | 3 | 1 | 4 | 3.3 | O=c1cc(CCc2cccs2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
CHEMBL3126302 | 105705 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 272 | 3 | 1 | 4 | 3.3 | O=c1cc(CCc2cccs2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
118278480 | 121985 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 3.0 | O=c1cc(CCc2ccc(O)cc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
CHEMBL3593950 | 121985 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 3.0 | O=c1cc(CCc2ccc(O)cc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
44453877 | 155592 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 305 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(-c3ccccc3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL404582 | 155592 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 305 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(-c3ccccc3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
44298151 | 100838 | 0 | None | -31 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.3 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Cl)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL293597 | 100838 | 0 | None | -31 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.3 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Cl)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
44298158 | 193950 | 0 | None | -12 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.3 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2c(Cl)cccc21 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL52783 | 193950 | 0 | None | -12 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.3 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2c(Cl)cccc21 | 10.1016/s0960-894x(00)00365-6 | ||
6918648 | 101532 | 1 | None | -1621 | 14 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1016/s0960-894x(02)00172-5 | ||
CHEMBL29846 | 101532 | 1 | None | -1621 | 14 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1016/s0960-894x(02)00172-5 | ||
3233 | 3486 | 44 | None | -165 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O | 10.1021/jm991151j | ||
3247 | 3486 | 44 | None | -165 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O | 10.1021/jm991151j | ||
6604889 | 3486 | 44 | None | -165 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O | 10.1021/jm991151j | ||
CHEMBL282199 | 3486 | 44 | None | -165 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O | 10.1021/jm991151j | ||
DB13988 | 3486 | 44 | None | -165 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O | 10.1021/jm991151j | ||
16063047 | 95354 | 0 | None | -77 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.9 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL256811 | 95354 | 0 | None | -77 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.9 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
122483292 | 138086 | 0 | None | -3 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.5 | O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
CHEMBL3764335 | 138086 | 0 | None | -3 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.5 | O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
CHEMBL3765876 | 138086 | 0 | None | -3 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.5 | O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
141 | 1415 | 35 | None | -1 | 22 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm980692q | ||
6089 | 1415 | 35 | None | -1 | 22 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm980692q | ||
CHEMBL12420 | 1415 | 35 | None | -1 | 22 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm980692q | ||
DB01488 | 1415 | 35 | None | -1 | 22 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm980692q | ||
136054961 | 57289 | 4 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 2 | 2 | 4 | 1.6 | NC(=O)c1csc(-c2ccccc2O)n1 | 10.1021/np100588c | ||
CHEMBL1651091 | 57289 | 4 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 2 | 2 | 4 | 1.6 | NC(=O)c1csc(-c2ccccc2O)n1 | 10.1021/np100588c | ||
73213196 | 104433 | 4 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
CHEMBL3104093 | 104433 | 4 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
73213196 | 104433 | 4 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104093 | 104433 | 4 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
73213196 | 104433 | 4 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104093 | 104433 | 4 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
142601343 | 185579 | 0 | None | -36 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 256 | 2 | 2 | 3 | 2.2 | Cc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4863868 | 185579 | 0 | None | -36 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 256 | 2 | 2 | 3 | 2.2 | Cc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
71455083 | 81801 | 0 | None | -173 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 6 | 0 | 3 | 4.8 | O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
CHEMBL2164354 | 81801 | 0 | None | -173 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 6 | 0 | 3 | 4.8 | O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
2520 | 203985 | 70 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
CHEMBL1280 | 203985 | 70 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
CHEMBL6966 | 203985 | 70 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
118055295 | 178048 | 0 | None | -17 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 242 | 0 | 1 | 2 | 2.2 | FC(F)(F)c1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4647417 | 178048 | 0 | None | -17 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 242 | 0 | 1 | 2 | 2.2 | FC(F)(F)c1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
11324968 | 91056 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397880 | 91056 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
168285382 | 191496 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 425 | 9 | 0 | 5 | 5.4 | CCCCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5194057 | 191496 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 425 | 9 | 0 | 5 | 5.4 | CCCCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
44582707 | 186974 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 430 | 10 | 0 | 6 | 4.1 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL490634 | 186974 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 430 | 10 | 0 | 6 | 4.1 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
13091359 | 113512 | 0 | None | -1479 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
CHEMBL3321790 | 113512 | 0 | None | -1479 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
53251189 | 130868 | 6 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 452 | 5 | 3 | 7 | 5.1 | Cc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1 | 10.6019/CHEMBL5212743 | ||
CHEMBL3685796 | 130868 | 6 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 452 | 5 | 3 | 7 | 5.1 | Cc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1 | 10.6019/CHEMBL5212743 | ||
135367405 | 164172 | 0 | None | -2 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 227 | 1 | 2 | 2 | 2.1 | Cc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
CHEMBL4210782 | 164172 | 0 | None | -2 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 227 | 1 | 2 | 2 | 2.1 | Cc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
122179556 | 121462 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 303 | 2 | 0 | 3 | 4.5 | FC(F)(F)c1ccc2c(c1)nc(-c1cccnc1)n2C1CC1 | 10.6019/CHEMBL5212743 | ||
CHEMBL3582461 | 121462 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 303 | 2 | 0 | 3 | 4.5 | FC(F)(F)c1ccc2c(c1)nc(-c1cccnc1)n2C1CC1 | 10.6019/CHEMBL5212743 | ||
15560577 | 185317 | 9 | None | 1 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
CHEMBL4859858 | 185317 | 9 | None | 1 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
123683 | 3099 | 63 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm501021n | ||
422 | 3099 | 63 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm501021n | ||
CHEMBL119709 | 3099 | 63 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm501021n | ||
DB05511 | 3099 | 63 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm501021n | ||
123683 | 3099 | 63 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
422 | 3099 | 63 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL119709 | 3099 | 63 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
DB05511 | 3099 | 63 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
16115652 | 83462 | 0 | None | -27 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 286 | 1 | 1 | 3 | 1.8 | COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL220211 | 83462 | 0 | None | -27 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 286 | 1 | 1 | 3 | 1.8 | COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
71061724 | 145527 | 0 | None | 1 | 5 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 386 | 5 | 0 | 4 | 3.0 | O=C(CN1CCO[C@H](COc2cccc(Cl)c2)C1)N1CCc2ccccc21 | nan | ||
CHEMBL3915107 | 145527 | 0 | None | 1 | 5 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 386 | 5 | 0 | 4 | 3.0 | O=C(CN1CCO[C@H](COc2cccc(Cl)c2)C1)N1CCc2ccccc21 | nan | ||
10660 | 14384 | 58 | None | -29 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
CHEMBL1200406 | 14384 | 58 | None | -29 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
134138168 | 147666 | 0 | None | 1 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 275 | 4 | 0 | 2 | 4.1 | COc1ccccc1-c1cc(CN(C)C)ccc1Cl | 10.1021/acs.jmedchem.1c00110 | ||
CHEMBL3931889 | 147666 | 0 | None | 1 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 275 | 4 | 0 | 2 | 4.1 | COc1ccccc1-c1cc(CN(C)C)ccc1Cl | 10.1021/acs.jmedchem.1c00110 | ||
44397832 | 123083 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 2.4 | C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL361079 | 123083 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 2.4 | C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
118706287 | 120505 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310114 | 120505 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545466 | 120505 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2 | 10.1016/j.bmc.2014.05.027 | ||
10131066 | 21571 | 0 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.4 | CC(N)Cc1cn(C)c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
CHEMBL131736 | 21571 | 0 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.4 | CC(N)Cc1cn(C)c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
CHEMBL5286886 | 194338 | 0 | None | 7 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 6 | 4 | 8 | 1.4 | OC[C@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1039/D1MD00167A | ||
134141831 | 146662 | 0 | None | 2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 6 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3923870 | 146662 | 0 | None | 2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 6 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
45486902 | 196923 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 449 | 5 | 2 | 4 | 4.6 | O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
CHEMBL566396 | 196923 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 449 | 5 | 2 | 4 | 4.6 | O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
118729270 | 120676 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402678 | 120676 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547139 | 120676 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
145965628 | 164023 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.6 | C[C@@H]1SC(c2ccc(-c3ccccc3)cc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4208914 | 164023 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.6 | C[C@@H]1SC(c2ccc(-c3ccccc3)cc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
146025727 | 171661 | 0 | None | -40 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4466483 | 171661 | 0 | None | -40 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
132060743 | 162212 | 0 | None | -4 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4163428 | 162212 | 0 | None | -4 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
10541003 | 103092 | 0 | None | -2 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@H]3CO2 | 10.1021/jm980076u | ||
CHEMBL307770 | 103092 | 0 | None | -2 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@H]3CO2 | 10.1021/jm980076u | ||
136118640 | 76289 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058700 | 76289 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
21044391 | 76602 | 0 | None | -21 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 219 | 1 | 2 | 4 | 0.3 | C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL206386 | 76602 | 0 | None | -21 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 219 | 1 | 2 | 4 | 0.3 | C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
2333 | 142310 | 97 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | nan | ||
CHEMBL388590 | 142310 | 97 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | nan | ||
11313985 | 91054 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397878 | 91054 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
18715561 | 73015 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cccnc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL201062 | 73015 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cccnc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
46914774 | 15410 | 0 | None | 21 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
CHEMBL1215037 | 15410 | 0 | None | 21 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
16115269 | 138104 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
CHEMBL376676 | 138104 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
21786603 | 134838 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 1.7 | CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL371899 | 134838 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 1.7 | CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1 | 10.1016/j.bmcl.2005.06.104 | ||
127051592 | 140853 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818710 | 140853 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819742 | 140853 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
2771 | 194994 | 74 | None | 1 | 27 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
CHEMBL1200781 | 194994 | 74 | None | 1 | 27 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
CHEMBL549 | 194994 | 74 | None | 1 | 27 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
127051592 | 140853 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818710 | 140853 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819742 | 140853 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
104903 | 56314 | 17 | None | -4 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
CHEMBL1630578 | 56314 | 17 | None | -4 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
58911534 | 91080 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397904 | 91080 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
2723 | 154022 | 108 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | nan | ||
CHEMBL398440 | 154022 | 108 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | nan | ||
1379258 | 67766 | 13 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.1 | Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 | nan | ||
CHEMBL1909050 | 67766 | 13 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.1 | Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 | nan | ||
16754 | 85545 | 50 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 4 | 0 | 5 | 3.5 | COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL228082 | 85545 | 50 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 4 | 0 | 5 | 3.5 | COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL5081379 | 214723 | 0 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CCCNCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
58405183 | 110670 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 339 | 6 | 1 | 3 | 3.9 | FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1 | 10.1021/ml500082j | ||
CHEMBL3260336 | 110670 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 339 | 6 | 1 | 3 | 3.9 | FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1 | 10.1021/ml500082j | ||
11380477 | 179658 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.7 | CC(C)n1nc2c(c1-c1ccc(C#N)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4743582 | 179658 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.7 | CC(C)n1nc2c(c1-c1ccc(C#N)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
10198431 | 73876 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL201930 | 73876 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
189 | 3466 | 39 | None | -5 | 17 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
5163 | 3466 | 39 | None | -5 | 17 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL297784 | 3466 | 39 | None | -5 | 17 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
11625624 | 113061 | 0 | None | -17 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 4 | 8 | 0.9 | CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL331291 | 113061 | 0 | None | -17 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 4 | 8 | 0.9 | CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
189 | 3466 | 39 | None | -5 | 17 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
5163 | 3466 | 39 | None | -5 | 17 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL297784 | 3466 | 39 | None | -5 | 17 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
10741816 | 98162 | 0 | None | -5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3c(C)ccnc3C)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL274066 | 98162 | 0 | None | -5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3c(C)ccnc3C)c1)CC2 | 10.1021/jm990388c | ||
10549658 | 98255 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3ccncc3)cc1)CC2 | 10.1021/jm990388c | ||
CHEMBL274692 | 98255 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3ccncc3)cc1)CC2 | 10.1021/jm990388c | ||
18475509 | 101920 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 2 | 2 | 3 | 3.9 | CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21 | 10.1016/s0960-894x(01)00343-2 | ||
CHEMBL301209 | 101920 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 2 | 2 | 3 | 3.9 | CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21 | 10.1016/s0960-894x(01)00343-2 | ||
191 | 3472 | 52 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970741j | ||
443389 | 3472 | 52 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970741j | ||
CHEMBL276140 | 3472 | 52 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970741j | ||
44298172 | 101744 | 0 | None | -6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cncnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL299938 | 101744 | 0 | None | -6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cncnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
44298163 | 195378 | 0 | None | -25 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3Cl)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL55207 | 195378 | 0 | None | -25 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3Cl)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
191 | 3472 | 52 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970424c | ||
443389 | 3472 | 52 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970424c | ||
CHEMBL276140 | 3472 | 52 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970424c | ||
9887537 | 84316 | 43 | None | -15 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 405 | 4 | 0 | 5 | 4.0 | Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1 | 10.1021/jm070516u | ||
CHEMBL221692 | 84316 | 43 | None | -15 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 405 | 4 | 0 | 5 | 4.0 | Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1 | 10.1021/jm070516u | ||
CHEMBL4751170 | 84316 | 43 | None | -15 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 405 | 4 | 0 | 5 | 4.0 | Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1 | 10.1021/jm070516u | ||
44298246 | 195586 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 397 | 4 | 1 | 5 | 4.0 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccn3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL55597 | 195586 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 397 | 4 | 1 | 5 | 4.0 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccn3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
56658155 | 65633 | 0 | None | 13 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834252 | 65633 | 0 | None | 13 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
145972796 | 164572 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 236 | 3 | 2 | 4 | 2.0 | CNc1ccccc1C1=N[C@@H](CO)[C@H](C)S1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4215741 | 164572 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 236 | 3 | 2 | 4 | 2.0 | CNc1ccccc1C1=N[C@@H](CO)[C@H](C)S1 | 10.1021/acs.jnatprod.7b00317 | ||
71212556 | 143537 | 0 | None | -24 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 433 | 3 | 1 | 6 | 4.6 | Cc1ccc2c(c1)Oc1sc(Cl)cc1C(N1CCN(CC(C)(C)C(=O)O)CC1)=N2 | nan | ||
CHEMBL3899169 | 143537 | 0 | None | -24 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 433 | 3 | 1 | 6 | 4.6 | Cc1ccc2c(c1)Oc1sc(Cl)cc1C(N1CCN(CC(C)(C)C(=O)O)CC1)=N2 | nan | ||
155561439 | 175642 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 411 | 4 | 4 | 7 | 3.5 | Oc1ccc(CCNc2nc(C#Cc3ccc(Cl)s3)nc3[nH]cnc23)cc1O | 10.1039/C8MD00317C | ||
CHEMBL4581568 | 175642 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 411 | 4 | 4 | 7 | 3.5 | Oc1ccc(CCNc2nc(C#Cc3ccc(Cl)s3)nc3[nH]cnc23)cc1O | 10.1039/C8MD00317C | ||
44404899 | 70403 | 2 | None | -70 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 190 | 2 | 2 | 2 | 1.9 | CN(C)Cc1c[nH]c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL194588 | 70403 | 2 | None | -70 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 190 | 2 | 2 | 2 | 1.9 | CN(C)Cc1c[nH]c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
44404904 | 132986 | 1 | None | -11 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 1.9 | CN(C)Cc1cn(C)c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL370221 | 132986 | 1 | None | -11 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 1.9 | CN(C)Cc1cn(C)c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
127050699 | 140847 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819082 | 140847 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819726 | 140847 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
117209918 | 186386 | 1 | None | -3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1ccccc1-c1n[nH]cc1N1CCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4876036 | 186386 | 1 | None | -3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1ccccc1-c1n[nH]cc1N1CCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
135508617 136016503 | 10598 | 0 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL1170237 | 10598 | 0 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
9869628 | 72014 | 0 | None | -199 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.8 | COc1cc2c(cc1OCCN1CCCCC1)N(C(=O)/C=C/c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL197630 | 72014 | 0 | None | -199 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.8 | COc1cc2c(cc1OCCN1CCCCC1)N(C(=O)/C=C/c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2005.08.004 | ||
10127968 | 72190 | 0 | None | -15 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 479 | 7 | 0 | 5 | 4.2 | COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL198109 | 72190 | 0 | None | -15 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 479 | 7 | 0 | 5 | 4.2 | COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
10479409 | 78034 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 460 | 7 | 0 | 4 | 5.3 | COc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL210007 | 78034 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 460 | 7 | 0 | 4 | 5.3 | COc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
49850874 | 56432 | 0 | None | -398 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 6 | 1 | 4 | 5.2 | Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
CHEMBL1632210 | 56432 | 0 | None | -398 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 6 | 1 | 4 | 5.2 | Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
44298243 | 100634 | 0 | None | -100 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | Cc1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL292228 | 100634 | 0 | None | -100 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | Cc1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | 10.1016/s0960-894x(00)00364-4 | ||
44298254 | 194512 | 0 | None | -50 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.8 | CCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL52919 | 194512 | 0 | None | -50 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.8 | CCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
22619858 | 199051 | 1 | None | -39 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL58765 | 199051 | 1 | None | -39 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
18931348 | 104714 | 0 | None | -39 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 2 | 6 | 1.7 | COc1ccc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)c1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL310656 | 104714 | 0 | None | -39 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 2 | 6 | 1.7 | COc1ccc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)c1 | 10.1016/S0960-894X(96)00503-3 | ||
44324011 | 111584 | 0 | None | -12 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 11 | 3 | 8 | 2.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL328375 | 111584 | 0 | None | -12 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 11 | 3 | 8 | 2.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
148302367 | 173497 | 0 | None | 15 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 267 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2cc(-c3ccccc3)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4530979 | 173497 | 0 | None | 15 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 267 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2cc(-c3ccccc3)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
149396365 | 175980 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 3.5 | C[C@@]12COc3cc(OCc4ccccc4)ccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4589450 | 175980 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 3.5 | C[C@@]12COc3cc(OCc4ccccc4)ccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
44430976 | 88012 | 0 | None | -50 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCC(C)C1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL234492 | 88012 | 0 | None | -50 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCC(C)C1 | 10.1016/j.bmcl.2006.10.029 | ||
11236301 | 88025 | 0 | None | -63 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.9 | COc1ccc(N2Cc3c(F)c(F)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL234531 | 88025 | 0 | None | -63 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.9 | COc1ccc(N2Cc3c(F)c(F)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
11475519 | 152051 | 0 | None | -79 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 414 | 6 | 0 | 4 | 4.6 | COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL396747 | 152051 | 0 | None | -79 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 414 | 6 | 0 | 4 | 4.6 | COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
44430979 | 153168 | 0 | None | -19 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.8 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1[C@@H](C)CCC[C@H]1C | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL397709 | 153168 | 0 | None | -19 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.8 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1[C@@H](C)CCC[C@H]1C | 10.1016/j.bmcl.2006.10.029 | ||
162654275 | 180656 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 5 | 1 | 4 | 3.7 | COc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4755344 | 180656 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 5 | 1 | 4 | 3.7 | COc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
10287730 | 3510 | 40 | None | -1584 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | ||
77 | 3510 | 40 | None | -1584 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | ||
CHEMBL425190 | 3510 | 40 | None | -1584 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | ||
10217208 | 72184 | 0 | None | -125 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 463 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3cccc(Cl)c3Cl)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL198097 | 72184 | 0 | None | -125 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 463 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3cccc(Cl)c3Cl)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
44404608 | 72223 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 346 | 6 | 1 | 4 | 2.7 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCO | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL198192 | 72223 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 346 | 6 | 1 | 4 | 2.7 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCO | 10.1016/j.bmcl.2005.08.004 | ||
10309622 | 141349 | 0 | None | -1000 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 7 | 0 | 4 | 4.0 | COc1ccc(N2CCN(c3ccccc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL383800 | 141349 | 0 | None | -1000 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 7 | 0 | 4 | 4.0 | COc1ccc(N2CCN(c3ccccc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
44414209 | 81207 | 0 | None | -398 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 7 | 0 | 4 | 4.4 | COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL215864 | 81207 | 0 | None | -398 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 7 | 0 | 4 | 4.4 | COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
9891002 | 107381 | 0 | None | -1258 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 472 | 4 | 2 | 6 | 4.6 | Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 | 10.1016/s0960-894x(01)00558-3 | ||
CHEMBL318018 | 107381 | 0 | None | -1258 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 472 | 4 | 2 | 6 | 4.6 | Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 | 10.1016/s0960-894x(01)00558-3 | ||
11304596 | 56366 | 0 | None | -7943 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 416 | 5 | 0 | 5 | 3.9 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
CHEMBL1631542 | 56366 | 0 | None | -7943 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 416 | 5 | 0 | 5 | 3.9 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
9827938 | 11739 | 0 | None | -50 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 517 | 13 | 1 | 3 | 6.3 | CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 | 10.1016/j.bmcl.2005.06.024 | ||
CHEMBL1181680 | 11739 | 0 | None | -50 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 517 | 13 | 1 | 3 | 6.3 | CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 | 10.1016/j.bmcl.2005.06.024 | ||
CHEMBL188486 | 11739 | 0 | None | -50 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 517 | 13 | 1 | 3 | 6.3 | CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 | 10.1016/j.bmcl.2005.06.024 | ||
2470 | 3626 | 50 | None | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
3300 | 3626 | 50 | None | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
5265 | 3626 | 50 | None | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
99 | 3626 | 50 | None | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL267930 | 3626 | 50 | None | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
10008294 | 206804 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 12 | 3 | 9 | 2.5 | COc1ccc(S(=O)(=O)Nc2cc(C(=O)CCCCN3CCC4(CC3)NC(=O)NC4=O)c(OC)cc2OC)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL90467 | 206804 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 12 | 3 | 9 | 2.5 | COc1ccc(S(=O)(=O)Nc2cc(C(=O)CCCCN3CCC4(CC3)NC(=O)NC4=O)c(OC)cc2OC)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
10371119 | 206984 | 0 | None | -794 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 586 | 12 | 3 | 8 | 3.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL91454 | 206984 | 0 | None | -794 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 586 | 12 | 3 | 8 | 3.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
127050699 | 140847 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819082 | 140847 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819726 | 140847 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
122182283 | 121984 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 3.0 | O=c1cc(CCc2cccc(O)c2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
CHEMBL3593949 | 121984 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 3.0 | O=c1cc(CCc2cccc(O)c2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
9935387 | 99414 | 0 | None | -1584 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1 | 10.1016/s0960-894x(02)00172-5 | ||
CHEMBL282971 | 99414 | 0 | None | -1584 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1 | 10.1016/s0960-894x(02)00172-5 | ||
9913554 | 100965 | 0 | None | -1584 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1 | 10.1016/s0960-894x(02)00172-5 | ||
CHEMBL29433 | 100965 | 0 | None | -1584 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1 | 10.1016/s0960-894x(02)00172-5 | ||
136030693 | 57290 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 222 | 2 | 2 | 4 | 0.7 | NC(=O)C1CSC(c2ccccc2O)=N1 | 10.1021/np100588c | ||
CHEMBL1651092 | 57290 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 222 | 2 | 2 | 4 | 0.7 | NC(=O)C1CSC(c2ccccc2O)=N1 | 10.1021/np100588c | ||
13149 | 2528 | 36 | None | -20 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.1c00726 | ||
3034396 | 2528 | 36 | None | -20 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.1c00726 | ||
CHEMBL299031 | 2528 | 36 | None | -20 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.1c00726 | ||
1201549 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
333 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
7601 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1201203 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL438151 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
DB00245 | 594 | 24 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
118055293 | 177221 | 0 | None | -17 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 0 | 1 | 2 | 1.9 | Brc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4635854 | 177221 | 0 | None | -17 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 0 | 1 | 2 | 1.9 | Brc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
58911604 | 91077 | 1 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2ccc(Cl)cc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397901 | 91077 | 1 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2ccc(Cl)cc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
135846982 | 93026 | 0 | None | 7 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3cc(Br)ccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442268 | 93026 | 0 | None | 7 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3cc(Br)ccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
5510 | 205829 | 100 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | nan | ||
CHEMBL83668 | 205829 | 100 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | nan | ||
135846955 | 189459 | 4 | None | 7 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.5 | CN1C(=N)N/C(=C/c2c[nH]c3ccccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL513803 | 189459 | 4 | None | 7 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.5 | CN1C(=N)N/C(=C/c2c[nH]c3ccccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
4122 | 207602 | 108 | None | -3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 301 | 3 | 2 | 5 | 3.0 | COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1 | nan | ||
CHEMBL9514 | 207602 | 108 | None | -3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 301 | 3 | 2 | 5 | 3.0 | COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1 | nan | ||
71682216 | 91085 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 260 | 3 | 1 | 3 | 1.4 | CCCOc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397909 | 91085 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 260 | 3 | 1 | 3 | 1.4 | CCCOc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL4754103 | 214016 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CNC(=O)Nc1ccc2c(c1)CC[C@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O | 10.6019/CHEMBL5212743 | ||||
92042876 | 151312 | 0 | None | -2 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 261 | 4 | 1 | 2 | 3.7 | CNCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||
CHEMBL3961059 | 151312 | 0 | None | -2 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 261 | 4 | 1 | 2 | 3.7 | CNCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||
9920815 | 67219 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.0 | Cc1ccc2c(c1C)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL188033 | 67219 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.0 | Cc1ccc2c(c1C)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
152 | 363 | 29 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
2107 | 363 | 29 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
CHEMBL275854 | 363 | 29 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
24826790 | 91065 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397889 | 91065 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
46230095 | 199268 | 0 | None | 11 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 271 | 0 | 2 | 3 | 1.2 | O=C1NC2CNCCN2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590333 | 199268 | 0 | None | 11 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 271 | 0 | 2 | 3 | 1.2 | O=C1NC2CNCCN2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2009.12.014 | ||
127048336 | 140580 | 1 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3813855 | 140580 | 1 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm030205t | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm030205t | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm030205t | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm030205t | ||
152 | 363 | 29 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm030205t | ||
2107 | 363 | 29 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm030205t | ||
CHEMBL275854 | 363 | 29 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm030205t | ||
9856041 | 24082 | 3 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
CHEMBL133868 | 24082 | 3 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
5 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2014.02.029 | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2014.02.029 | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2014.02.029 | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2014.02.029 | ||
156013985 | 177151 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 0 | 1 | 2 | 1.8 | C1=CC2CNCCN3C[C@@H]4CCC[C@@H]4C(=C1)C23 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4634785 | 177151 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 0 | 1 | 2 | 1.8 | C1=CC2CNCCN3C[C@@H]4CCC[C@@H]4C(=C1)C23 | 10.1016/j.bmcl.2019.126929 | ||
45486824 | 197354 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 4 | 3 | 4 | 3.3 | O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
CHEMBL569251 | 197354 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 4 | 3 | 4 | 3.3 | O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
CHEMBL5094234 | 215550 | 0 | None | -61 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
CHEMBL5096019 | 215550 | 0 | None | -61 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
CHEMBL5090884 | 215554 | 0 | None | -1 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCCCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
CHEMBL5096072 | 215554 | 0 | None | -1 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCCCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
24771120 | 184076 | 0 | None | -56 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 4 | 2 | 6 | 3.4 | O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 | 10.1016/j.bmcl.2009.03.071 | ||
CHEMBL482562 | 184076 | 0 | None | -56 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 4 | 2 | 6 | 3.4 | O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 | 10.1016/j.bmcl.2009.03.071 | ||
136020618 | 163890 | 0 | None | 12 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4207302 | 163890 | 0 | None | 12 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
135753074 | 191084 | 9 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 2.2 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 | 10.1021/acs.jmedchem.1c01759 | ||
CHEMBL5187824 | 191084 | 9 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 2.2 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 | 10.1021/acs.jmedchem.1c01759 | ||
136030693 | 57290 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 222 | 2 | 2 | 4 | 0.7 | NC(=O)C1CSC(c2ccccc2O)=N1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL1651092 | 57290 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 222 | 2 | 2 | 4 | 0.7 | NC(=O)C1CSC(c2ccccc2O)=N1 | 10.1021/acs.jnatprod.7b00317 | ||
11739217 | 137015 | 0 | None | -8 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 300 | 2 | 1 | 3 | 2.2 | CCOc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL374660 | 137015 | 0 | None | -8 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 300 | 2 | 1 | 3 | 2.2 | CCOc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
16063039 | 155591 | 0 | None | -147 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.9 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCCNC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL404581 | 155591 | 0 | None | -147 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.9 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCCNC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
1353 | 1898 | 93 | None | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
3559 | 1898 | 93 | None | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
86 | 1898 | 93 | None | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
CHEMBL54 | 1898 | 93 | None | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
DB00502 | 1898 | 93 | None | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
CHEMBL4537673 | 213966 | 29 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1 | 10.6019/CHEMBL5212743 | ||||
44409332 | 76701 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 261 | 3 | 1 | 4 | 1.9 | CCO[C@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL206618 | 76701 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 261 | 3 | 1 | 4 | 1.9 | CCO[C@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
162661262 | 181828 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 432 | 6 | 4 | 7 | 2.7 | OC[C@@]12C[C@@H]1[C@@H](n1ccc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1016/j.bmcl.2020.127599 | ||
CHEMBL4778636 | 181828 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 432 | 6 | 4 | 7 | 2.7 | OC[C@@]12C[C@@H]1[C@@H](n1ccc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1016/j.bmcl.2020.127599 | ||
1016 | 3720 | 78 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2561 | 3720 | 78 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2733526 | 3720 | 78 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
5384 | 3720 | 78 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL83 | 3720 | 78 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
DB00675 | 3720 | 78 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
71061585 | 160473 | 0 | None | 3 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 367 | 6 | 0 | 5 | 2.8 | Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1 | nan | ||
CHEMBL4112090 | 160473 | 0 | None | 3 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 367 | 6 | 0 | 5 | 2.8 | Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1 | nan | ||
CHEMBL1909069 | 209053 | 0 | None | -1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
117209971 | 186461 | 1 | None | -26 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4877051 | 186461 | 1 | None | -26 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
1343 | 1876 | 62 | None | -14 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
3519 | 1876 | 62 | None | -14 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
522 | 1876 | 62 | None | -14 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
CHEMBL862 | 1876 | 62 | None | -14 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
DB01018 | 1876 | 62 | None | -14 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
CHEMBL4780458 | 214025 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | O=C(Nc1cccnn1)N1CC(C/C=C/c2cncc(Oc3ccc(C(F)(F)F)cn3)n2)C1 | 10.6019/CHEMBL5212743 | ||||
58911681 | 90956 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2396668 | 90956 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1 | 10.1016/j.bmcl.2013.04.061 | ||
136118639 | 76288 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058699 | 76288 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
2337 | 3232 | 77 | None | -15 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
50 | 3232 | 77 | None | -15 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
5002 | 3232 | 77 | None | -15 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
CHEMBL716 | 3232 | 77 | None | -15 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
DB01224 | 3232 | 77 | None | -15 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
71455625 | 82935 | 0 | None | -3388 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 353 | 5 | 0 | 4 | 4.4 | CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1 | 10.1021/jm300943r | ||
CHEMBL2181170 | 82935 | 0 | None | -3388 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 353 | 5 | 0 | 4 | 4.4 | CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1 | 10.1021/jm300943r | ||
44407398 | 74389 | 0 | None | -8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 365 | 5 | 1 | 3 | 5.5 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL202616 | 74389 | 0 | None | -8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 365 | 5 | 1 | 3 | 5.5 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.10.029 | ||
136030596 | 57288 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | OC[C@@H]1CSC(c2ccccc2O)=N1 | 10.1021/np100588c | ||
CHEMBL1651090 | 57288 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | OC[C@@H]1CSC(c2ccccc2O)=N1 | 10.1021/np100588c | ||
168277287 | 190126 | 0 | None | 3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 426 | 7 | 2 | 3 | 7.8 | CCCC(CCC)c1nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1 | 10.1021/acs.jmedchem.2c01170 | ||
CHEMBL5173661 | 190126 | 0 | None | 3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 426 | 7 | 2 | 3 | 7.8 | CCCC(CCC)c1nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1 | 10.1021/acs.jmedchem.2c01170 | ||
25123011 | 201170 | 0 | None | -74 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 3.5 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccc5ccccc5c4)c3c2)CC1 | 10.1021/jm901674f | ||
CHEMBL603483 | 201170 | 0 | None | -74 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 3.5 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccc5ccccc5c4)c3c2)CC1 | 10.1021/jm901674f | ||
46230046 | 199224 | 0 | None | 14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 203 | 0 | 2 | 3 | 0.2 | O=C1NC2CNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590077 | 199224 | 0 | None | 14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 203 | 0 | 2 | 3 | 0.2 | O=C1NC2CNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
135846958 | 76216 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cc(Br)ccc12 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058408 | 76216 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cc(Br)ccc12 | 10.1016/j.bmc.2013.09.011 | ||
18715555 | 74346 | 0 | None | -8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 4.1 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL202458 | 74346 | 0 | None | -8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 4.1 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2005.10.029 | ||
168286940 | 192257 | 0 | None | -691 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 7 | 1 | 4 | 4.0 | CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 | 10.1016/j.ejmech.2022.114246 | ||
CHEMBL5205903 | 192257 | 0 | None | -691 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 7 | 1 | 4 | 4.0 | CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 | 10.1016/j.ejmech.2022.114246 | ||
76518514 | 113510 | 0 | None | -147 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 387 | 6 | 1 | 2 | 5.3 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
CHEMBL3321788 | 113510 | 0 | None | -147 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 387 | 6 | 1 | 2 | 5.3 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
58911582 | 91070 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397894 | 91070 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
59012632 | 87709 | 0 | None | 91 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 388 | 2 | 1 | 3 | 4.6 | COc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCC3)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337102 | 87709 | 0 | None | 91 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 388 | 2 | 1 | 3 | 4.6 | COc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCC3)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.10.091 | ||
127051482 | 140629 | 1 | None | 8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3814737 | 140629 | 1 | None | 8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
127050282 | 140648 | 1 | None | 7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3815066 | 140648 | 1 | None | 7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
10353268 | 97742 | 1 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 2 | 2 | 2 | 2.0 | NCCc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
CHEMBL27173 | 97742 | 1 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 2 | 2 | 2 | 2.0 | NCCc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
24893978 | 1007 | 9 | None | -35 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | ||
8872 | 1007 | 9 | None | -35 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | ||
CHEMBL495075 | 1007 | 9 | None | -35 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | ||
10176869 | 166003 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.0 | Cc1c(Cl)ccc2c1N1CCNC[C@@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL425545 | 166003 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.0 | Cc1c(Cl)ccc2c1N1CCNC[C@@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
11595191 | 89031 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337488 | 89031 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2364960 | 89031 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
854531 | 152970 | 30 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 244 | 1 | 1 | 1 | 4.4 | c1ccc(-c2nccc3c2[nH]c2ccccc23)cc1 | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL3975325 | 152970 | 30 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 244 | 1 | 1 | 1 | 4.4 | c1ccc(-c2nccc3c2[nH]c2ccccc23)cc1 | 10.1021/acs.jmedchem.0c01887 | ||
145978819 | 163857 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 2 | 1 | 4 | 2.0 | C[C@@H]1SC(c2cccs2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4206939 | 163857 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 2 | 1 | 4 | 2.0 | C[C@@H]1SC(c2cccs2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
145975226 | 163909 | 0 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4207529 | 163909 | 0 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
145976983 | 163982 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.6 | C[C@H]1SC(c2ccc(-c3ccccc3)cc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4208376 | 163982 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.6 | C[C@H]1SC(c2ccc(-c3ccccc3)cc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
136030596 | 57288 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | OC[C@@H]1CSC(c2ccccc2O)=N1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL1651090 | 57288 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | OC[C@@H]1CSC(c2ccccc2O)=N1 | 10.1021/acs.jnatprod.7b00317 | ||
44537940 | 18742 | 0 | None | -18 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 5 | 1 | 6 | 4.5 | O=S(=O)(c1cccc2ccccc12)c1nn(Cc2ccccc2)c2ccc(N3CCNCC3)cc12 | 10.1021/jm1007825 | ||
CHEMBL1278001 | 18742 | 0 | None | -18 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 5 | 1 | 6 | 4.5 | O=S(=O)(c1cccc2ccccc12)c1nn(Cc2ccccc2)c2ccc(N3CCNCC3)cc12 | 10.1021/jm1007825 | ||
16115513 | 136377 | 0 | None | -23 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
CHEMBL373531 | 136377 | 0 | None | -23 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
136118732 | 76217 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2c(Br)cccc12 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058409 | 76217 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2c(Br)cccc12 | 10.1016/j.bmc.2013.09.011 | ||
122187383 | 123004 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 455 | 5 | 0 | 5 | 5.6 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(CC1CC1)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3609148 | 123004 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 455 | 5 | 0 | 5 | 5.6 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(CC1CC1)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
72549033 | 110666 | 0 | None | -660 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 3 | 0 | 5 | 3.3 | CN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1 | 10.1021/ml500045k | ||
CHEMBL3260311 | 110666 | 0 | None | -660 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 3 | 0 | 5 | 3.3 | CN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1 | 10.1021/ml500045k | ||
155536080 | 172090 | 0 | None | 2 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.9 | CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4472703 | 172090 | 0 | None | 2 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.9 | CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
142601333 | 185739 | 0 | None | -63 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.0 | Fc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4866412 | 185739 | 0 | None | -63 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.0 | Fc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
71062646 | 149519 | 0 | None | -2398 | 13 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 6 | 0 | 4 | 2.8 | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 | nan | ||
CHEMBL3946661 | 149519 | 0 | None | -2398 | 13 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 6 | 0 | 4 | 2.8 | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 | nan | ||
56675412 | 65636 | 0 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.2 | c1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834255 | 65636 | 0 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.2 | c1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
134141050 | 147279 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.4 | O=C(O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3928983 | 147279 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.4 | O=C(O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
21302483 | 87710 | 0 | None | 10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 0 | 1 | 3 | 2.4 | c1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCCS2 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337103 | 87710 | 0 | None | 10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 0 | 1 | 3 | 2.4 | c1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCCS2 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL5094680 | 215487 | 0 | None | 3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCCNCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
46914487 | 15378 | 0 | None | 144 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
CHEMBL1214830 | 15378 | 0 | None | 144 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
CHEMBL5288004 | 194381 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1039/D1MD00167A | ||
71461603 | 78509 | 1 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@H]2Cc3ccccc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL2112055 | 78509 | 1 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@H]2Cc3ccccc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
2585 | 800 | 103 | None | -18 | 22 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
522 | 800 | 103 | None | -18 | 22 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
551 | 800 | 103 | None | -18 | 22 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
CHEMBL723 | 800 | 103 | None | -18 | 22 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
DB01136 | 800 | 103 | None | -18 | 22 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
2389 | 3306 | 118 | None | -66 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
5073 | 3306 | 118 | None | -66 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
96 | 3306 | 118 | None | -66 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
CHEMBL85 | 3306 | 118 | None | -66 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
DB00734 | 3306 | 118 | None | -66 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
135520431 | 72580 | 9 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 177 | 2 | 2 | 4 | 0.7 | NCCn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL199385 | 72580 | 9 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 177 | 2 | 2 | 4 | 0.7 | NCCn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
24873257 | 180232 | 0 | None | 10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 1 | 3 | 3.2 | c1ccc(-c2c3c(nn2-c2ccccc2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4750414 | 180232 | 0 | None | 10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 1 | 3 | 3.2 | c1ccc(-c2c3c(nn2-c2ccccc2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
168274008 | 190172 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 397 | 7 | 0 | 5 | 4.6 | CCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5174366 | 190172 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 397 | 7 | 0 | 5 | 4.6 | CCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
134143752 | 150625 | 0 | None | 3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3955519 | 150625 | 0 | None | 3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
134143752 | 150625 | 0 | None | 3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL3955519 | 150625 | 0 | None | 3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
24824726 | 161085 | 1 | None | -20 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
CHEMBL4060529 | 161085 | 1 | None | -20 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
CHEMBL4117079 | 161085 | 1 | None | -20 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
CHEMBL5282336 | 161085 | 1 | None | -20 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
CHEMBL5286389 | 161085 | 1 | None | -20 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
10550406 | 31923 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 5.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3C)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14076 | 31923 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 5.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3C)c1)CC2 | 10.1021/jm990388c | ||
10718089 | 98528 | 0 | None | -31 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 443 | 4 | 1 | 4 | 5.4 | COc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1 | 10.1021/jm990388c | ||
CHEMBL276571 | 98528 | 0 | None | -31 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 443 | 4 | 1 | 4 | 5.4 | COc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1 | 10.1021/jm990388c | ||
10767350 | 99014 | 0 | None | -6 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 489 | 4 | 1 | 3 | 7.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3ccccc3)cc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL280297 | 99014 | 0 | None | -6 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 489 | 4 | 1 | 3 | 7.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3ccccc3)cc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
18475610 | 196773 | 0 | None | 3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 2 | 3 | 4.5 | COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl | 10.1016/s0960-894x(01)00343-2 | ||
CHEMBL56557 | 196773 | 0 | None | 3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 2 | 3 | 4.5 | COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl | 10.1016/s0960-894x(01)00343-2 | ||
10714852 | 163126 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 4 | 1 | 3 | 5.2 | CCCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
CHEMBL41792 | 163126 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 4 | 1 | 3 | 5.2 | CCCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
44298082 | 194941 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ncccc3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL54484 | 194941 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ncccc3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
118055289 | 177875 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.7 | Cc1cc2c3c(c1Cl)C(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4644872 | 177875 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.7 | Cc1cc2c3c(c1Cl)C(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
10421236 | 188709 | 1 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 226 | 1 | 3 | 4 | 1.9 | Nc1nccc(-c2c[nH]c3cccc(O)c23)n1 | 10.1016/j.bmc.2011.08.033 | ||
CHEMBL50498 | 188709 | 1 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 226 | 1 | 3 | 4 | 1.9 | Nc1nccc(-c2c[nH]c3cccc(O)c23)n1 | 10.1016/j.bmc.2011.08.033 | ||
135367857 | 164580 | 0 | None | -9 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 228 | 1 | 1 | 3 | 2.3 | Cc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
CHEMBL4215875 | 164580 | 0 | None | -9 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 228 | 1 | 1 | 3 | 2.3 | Cc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
CHEMBL5280298 | 194036 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 294 | 1 | 1 | 1 | 5.5 | c1ccc2cc(-c3nccc4c3[nH]c3ccccc34)ccc2c1 | 10.1021/acs.jmedchem.0c01887 | ||
145967795 | 164799 | 0 | None | 5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 213 | 2 | 1 | 4 | 2.0 | C[C@@H]1SC(c2ccsc2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4218679 | 164799 | 0 | None | 5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 213 | 2 | 1 | 4 | 2.0 | C[C@@H]1SC(c2ccsc2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
136259032 | 164616 | 17 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 205 | 2 | 1 | 4 | 2.3 | O=Cc1csc(-c2ccccc2O)n1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4216337 | 164616 | 17 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 205 | 2 | 1 | 4 | 2.3 | O=Cc1csc(-c2ccccc2O)n1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4802045 | 214036 | 6 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3F)cc2)nc2cnccc12)C(=O)O | 10.6019/CHEMBL4800729 | ||||
732268 | 138271 | 33 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 257 | 1 | 3 | 5 | 2.0 | NC1=NC2(CCCCC2)NC(Nc2ccccc2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL3770837 | 138271 | 33 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 257 | 1 | 3 | 5 | 2.0 | NC1=NC2(CCCCC2)NC(Nc2ccccc2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
127051843 | 140726 | 0 | None | -6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 5 | 0 | 3 | 3.6 | N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818200 | 140726 | 0 | None | -6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 5 | 0 | 3 | 3.6 | N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
1222 | 1651 | 49 | None | -52 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm100600y | ||
3396 | 1651 | 49 | None | -52 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm100600y | ||
85 | 1651 | 49 | None | -52 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm100600y | ||
CHEMBL46516 | 1651 | 49 | None | -52 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm100600y | ||
DB04842 | 1651 | 49 | None | -52 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm100600y | ||
CHEMBL4802045 | 214036 | 6 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3F)cc2)nc2cnccc12)C(=O)O | 10.6019/CHEMBL4800729 | ||||
2398 | 951 | 62 | None | -3 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
2801 | 951 | 62 | None | -3 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
701 | 951 | 62 | None | -3 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
CHEMBL415 | 951 | 62 | None | -3 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
DB01242 | 951 | 62 | None | -3 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
127051843 | 140726 | 0 | None | -6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 5 | 0 | 3 | 3.6 | N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818200 | 140726 | 0 | None | -6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 5 | 0 | 3 | 3.6 | N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
155543832 | 173187 | 0 | None | -134 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 451 | 6 | 3 | 7 | 3.4 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4522864 | 173187 | 0 | None | -134 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 451 | 6 | 3 | 7 | 3.4 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
11952353 | 199837 | 0 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL594469 | 199837 | 0 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1 | 10.1016/j.bmcl.2009.10.112 | ||
168274751 | 190614 | 0 | None | 2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 5 | 0 | 5 | 3.9 | CCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5181312 | 190614 | 0 | None | 2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 5 | 0 | 5 | 3.9 | CCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
11302765 | 84219 | 4 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 284 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL221113 | 84219 | 4 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 284 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
10235 | 2656 | 1 | None | -61 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 433 | 6 | 4 | 8 | 2.1 | OC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1 | 10.1021/acs.jmedchem.8b01662 | ||
137553161 | 2656 | 1 | None | -61 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 433 | 6 | 4 | 8 | 2.1 | OC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1 | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4470080 | 2656 | 1 | None | -61 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 433 | 6 | 4 | 8 | 2.1 | OC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1 | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4545807 | 213971 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | Cn1c(-c2csc(C3CCN(CC4=NC5N=CC=CC5N4)CC3)n2)nc2ccccc21 | 10.6019/CHEMBL5212743 | ||||
56645363 | 121464 | 12 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | ||
CHEMBL3582478 | 121464 | 12 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | ||
136118650 | 76294 | 0 | None | 6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058705 | 76294 | 0 | None | 6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
44581972 | 175576 | 0 | None | -5 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 6 | 2 | 6 | 4.3 | O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
CHEMBL458001 | 175576 | 0 | None | -5 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 6 | 2 | 6 | 4.3 | O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
136020620 | 57294 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 219 | 2 | 1 | 4 | 2.6 | Cc1sc(-c2ccccc2O)nc1C=O | 10.1021/np100588c | ||
CHEMBL1651096 | 57294 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 219 | 2 | 1 | 4 | 2.6 | Cc1sc(-c2ccccc2O)nc1C=O | 10.1021/np100588c | ||
142601325 | 185845 | 0 | None | -3 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 242 | 2 | 2 | 3 | 1.9 | c1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4868035 | 185845 | 0 | None | -3 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 242 | 2 | 2 | 3 | 1.9 | c1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
16117151 | 60057 | 0 | None | -154 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 4 | 3 | 5 | 3.2 | O=S(=O)(c1cccc(Cl)c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1642882 | 60057 | 0 | None | -154 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 4 | 3 | 5 | 3.2 | O=S(=O)(c1cccc(Cl)c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1739102 | 60057 | 0 | None | -154 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 4 | 3 | 5 | 3.2 | O=S(=O)(c1cccc(Cl)c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
25263297 | 184313 | 0 | None | -19 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 394 | 5 | 2 | 6 | 2.7 | NCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12 | 10.1016/j.bmcl.2009.03.071 | ||
CHEMBL484345 | 184313 | 0 | None | -19 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 394 | 5 | 2 | 6 | 2.7 | NCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12 | 10.1016/j.bmcl.2009.03.071 | ||
53483975 | 65584 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1833977 | 65584 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
1605 | 2327 | 117 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
3957 | 2327 | 117 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
7216 | 2327 | 117 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
CHEMBL998 | 2327 | 117 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
DB00455 | 2327 | 117 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
168282554 | 190842 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 5 | 0 | 5 | 4.3 | COc1cc2c(cc1OC)-c1c(OC)c(OC(C)C)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5184659 | 190842 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 5 | 0 | 5 | 4.3 | COc1cc2c(cc1OC)-c1c(OC)c(OC(C)C)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
155530292 | 171470 | 0 | None | -3548 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 5 | 4 | 8 | 1.6 | O=C(NC1CC1)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4463802 | 171470 | 0 | None | -3548 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 5 | 4 | 8 | 1.6 | O=C(NC1CC1)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
10151289 | 133558 | 0 | None | -6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 6 | 0 | 4 | 4.7 | O=C1N(c2ccc(OCCN3CCCCC3)nc2)CCN1c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL371211 | 133558 | 0 | None | -6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 6 | 0 | 4 | 4.7 | O=C1N(c2ccc(OCCN3CCCCC3)nc2)CCN1c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2005.08.004 | ||
49850872 | 56428 | 0 | None | -630 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 388 | 5 | 1 | 4 | 3.9 | CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
CHEMBL1632206 | 56428 | 0 | None | -630 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 388 | 5 | 1 | 4 | 3.9 | CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
10830245 | 101397 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 1 | 1 | 2 | 4.6 | CC(C)(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
CHEMBL297445 | 101397 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 1 | 1 | 2 | 4.6 | CC(C)(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
10408409 | 193139 | 0 | None | -79 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 3 | 1 | 5 | 4.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL52308 | 193139 | 0 | None | -79 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 3 | 1 | 5 | 4.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
44298226 | 196462 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.6 | Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL56336 | 196462 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.6 | Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
153287542 | 169510 | 0 | None | -6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 265 | 1 | 1 | 2 | 3.6 | C[C@@]12COc3c(-c4ccccc4)cccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4435237 | 169510 | 0 | None | -6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 265 | 1 | 1 | 2 | 3.6 | C[C@@]12COc3c(-c4ccccc4)cccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
11237290 | 87928 | 0 | None | -199 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 458 | 6 | 0 | 4 | 4.7 | COc1ccc(N2Cc3cccc(Br)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL234109 | 87928 | 0 | None | -199 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 458 | 6 | 0 | 4 | 4.7 | COc1ccc(N2Cc3cccc(Br)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
10413268 | 152643 | 0 | None | -31 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 453 | 6 | 0 | 5 | 4.9 | COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL397259 | 152643 | 0 | None | -31 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 453 | 6 | 0 | 5 | 4.9 | COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
44420682 | 137583 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 270 | 0 | 0 | 2 | 2.1 | CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1 | 10.1021/jm0612968 | ||
CHEMBL375642 | 137583 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 270 | 0 | 0 | 2 | 2.1 | CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1 | 10.1021/jm0612968 | ||
162647275 | 179538 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 294 | 4 | 1 | 3 | 4.0 | Cc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4741776 | 179538 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 294 | 4 | 1 | 3 | 4.0 | Cc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1 | 10.1016/j.bmcl.2020.127511 | ||
10150393 | 71880 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 373 | 7 | 0 | 4 | 3.2 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL197170 | 71880 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 373 | 7 | 0 | 4 | 3.2 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C | 10.1016/j.bmcl.2005.08.004 | ||
10479309 | 79718 | 0 | None | -79 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 0 | 5 | 4.7 | COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1Cl | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL211719 | 79718 | 0 | None | -79 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 0 | 5 | 4.7 | COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1Cl | 10.1016/j.bmcl.2006.05.034 | ||
44414217 | 80114 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 516 | 7 | 0 | 4 | 6.3 | O=C1C(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCCN2CCCCC2)c1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL213368 | 80114 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 516 | 7 | 0 | 4 | 6.3 | O=C1C(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCCN2CCCCC2)c1 | 10.1016/j.bmcl.2006.05.034 | ||
24887284 | 141721 | 0 | None | -125 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 5.4 | COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL385921 | 141721 | 0 | None | -125 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 5.4 | COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
24888183 | 141794 | 0 | None | -1000 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 7 | 0 | 4 | 4.5 | COc1ccc(N2CC=C(c3ccc(C)cc3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL386332 | 141794 | 0 | None | -1000 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 7 | 0 | 4 | 4.5 | COc1ccc(N2CC=C(c3ccc(C)cc3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
10296414 | 3505 | 15 | None | -1258 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | ||
76 | 3505 | 15 | None | -1258 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | ||
CHEMBL183460 | 3505 | 15 | None | -1258 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | ||
11248705 | 90266 | 0 | None | -630 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
CHEMBL238519 | 90266 | 0 | None | -630 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
91826739 | 121987 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 3.2 | O=c1cc(COCc2ccccc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
CHEMBL3593952 | 121987 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 3.2 | O=c1cc(COCc2ccccc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
168271856 | 190537 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 4.0 | C=CCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5180016 | 190537 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 4.0 | C=CCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
44572166 | 12428 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
CHEMBL1186133 | 12428 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
CHEMBL451232 | 12428 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
44572751 | 12467 | 1 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
CHEMBL1186509 | 12467 | 1 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
CHEMBL467736 | 12467 | 1 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
127026052 | 137528 | 0 | None | 4 | 19 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL3754496 | 137528 | 0 | None | 4 | 19 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
145989551 | 167114 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 4.1 | CN(C)CC/C=C1\c2ccc(F)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4290607 | 167114 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 4.1 | CN(C)CC/C=C1\c2ccc(F)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
70687202 | 77949 | 0 | None | -10 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@@H]2Cc3ccccc3N21 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL2096809 | 77949 | 0 | None | -10 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@@H]2Cc3ccccc3N21 | 10.1016/j.bmcl.2005.05.074 | ||
11231392 | 84865 | 0 | None | -13 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.6 | CC(C)Oc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
CHEMBL223628 | 84865 | 0 | None | -13 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.6 | CC(C)Oc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
11080 | 29054 | 79 | None | -6 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
CHEMBL1381098 | 29054 | 79 | None | -6 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
59652086 | 114566 | 0 | None | -85 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 8 | 2 | 6 | 3.6 | COc1cccc(CNC(=O)c2nc3scc(CN(C)Cc4ccccc4)c3c(=O)[nH]2)c1 | 10.6019/CHEMBL5212743 | ||
CHEMBL3337895 | 114566 | 0 | None | -85 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 8 | 2 | 6 | 3.6 | COc1cccc(CNC(=O)c2nc3scc(CN(C)Cc4ccccc4)c3c(=O)[nH]2)c1 | 10.6019/CHEMBL5212743 | ||
49865833 | 16132 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 296 | 1 | 1 | 3 | 3.2 | O=C(Nc1ccccc1)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224036 | 16132 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 296 | 1 | 1 | 3 | 3.2 | O=C(Nc1ccccc1)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
14702424 | 18532 | 69 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 176 | 2 | 2 | 2 | 1.6 | COc1ccc2[nH]cc(CN)c2c1 | 10.1021/jm100600y | ||
CHEMBL1276050 | 18532 | 69 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 176 | 2 | 2 | 2 | 1.6 | COc1ccc2[nH]cc(CN)c2c1 | 10.1021/jm100600y | ||
71462776 | 82934 | 0 | None | -134 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 5 | 0 | 3 | 5.5 | CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
CHEMBL2181169 | 82934 | 0 | None | -134 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 5 | 0 | 3 | 5.5 | CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
136118659 | 76226 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058427 | 76226 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
21527771 | 70127 | 1 | None | -645 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.2 | OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
CHEMBL1940404 | 70127 | 1 | None | -645 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.2 | OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
134135745 | 144354 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 6 | 4 | 8 | 1.6 | CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3905850 | 144354 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 6 | 4 | 8 | 1.6 | CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
134156506 | 154039 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 6 | 4 | 8 | 1.6 | CC(C)[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3984645 | 154039 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 6 | 4 | 8 | 1.6 | CC(C)[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
58911666 | 91062 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397886 | 91062 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
25120700 | 81210 | 0 | None | 5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.0 | COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.02.023 | ||
CHEMBL2158704 | 81210 | 0 | None | 5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.0 | COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.02.023 | ||
45486820 | 196911 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 3 | 2 | 4 | 3.8 | O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4CC3CCc4[nH]c5ccc(F)cc5c4C3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
CHEMBL1237149 | 196911 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 3 | 2 | 4 | 3.8 | O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4CC3CCc4[nH]c5ccc(F)cc5c4C3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
CHEMBL566356 | 196911 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 3 | 2 | 4 | 3.8 | O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4CC3CCc4[nH]c5ccc(F)cc5c4C3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
45279963 | 80880 | 55 | None | 20 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 6 | 3 | 5 | 3.8 | O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21 | 10.6019/CHEMBL4507316 | ||
CHEMBL2152944 | 80880 | 55 | None | 20 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 6 | 3 | 5 | 3.8 | O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21 | 10.6019/CHEMBL4507316 | ||
71062768 | 143711 | 0 | None | -4 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 382 | 6 | 0 | 5 | 2.4 | COc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 | nan | ||
CHEMBL3900699 | 143711 | 0 | None | -4 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 382 | 6 | 0 | 5 | 2.4 | COc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 | nan | ||
3151 | 1450 | 97 | None | -125 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
945 | 1450 | 97 | None | -125 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
965 | 1450 | 97 | None | -125 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
CHEMBL219916 | 1450 | 97 | None | -125 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
DB01184 | 1450 | 97 | None | -125 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
44409317 | 141333 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | C[C@@H]1CNC[C@@H]2Cc3ccc(Br)nc3N21 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL383694 | 141333 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | C[C@@H]1CNC[C@@H]2Cc3ccc(Br)nc3N21 | 10.1016/j.bmcl.2005.11.083 | ||
46884102 | 8030 | 1 | None | -912 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 366 | 5 | 2 | 3 | 3.7 | CC1(C)CCC(Oc2cc(F)c(CNC(=O)[C@@H]3CCCN3)cc2F)CC1 | 10.1016/j.bmcl.2010.01.107 | ||
CHEMBL1091106 | 8030 | 1 | None | -912 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 366 | 5 | 2 | 3 | 3.7 | CC1(C)CCC(Oc2cc(F)c(CNC(=O)[C@@H]3CCCN3)cc2F)CC1 | 10.1016/j.bmcl.2010.01.107 | ||
135501716 | 76284 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058695 | 76284 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmc.2013.09.011 | ||
49783419 | 17717 | 0 | None | -501 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
CHEMBL1258671 | 17717 | 0 | None | -501 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
118055288 | 177012 | 0 | None | -58 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 3.0 | CC1CN2CCNCc3cc(Cl)c(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4632473 | 177012 | 0 | None | -58 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 3.0 | CC1CN2CCNCc3cc(Cl)c(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
25209356 | 179761 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 544 | 7 | 2 | 8 | 4.0 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
CHEMBL474473 | 179761 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 544 | 7 | 2 | 8 | 4.0 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
127051015 | 140849 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818128 | 140849 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819731 | 140849 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
24826957 | 91088 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397912 | 91088 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
127049983 | 140637 | 1 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3814821 | 140637 | 1 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
127037093 | 136483 | 0 | None | 40 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 0 | 5 | 4.8 | COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3736252 | 136483 | 0 | None | 40 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 0 | 5 | 4.8 | COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
44435193 | 91196 | 0 | None | 1 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 331 | 2 | 0 | 2 | 5.6 | CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL240045 | 91196 | 0 | None | 1 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 331 | 2 | 0 | 2 | 5.6 | CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL5083607 | 214850 | 0 | None | -14 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | COc1ccccc1-c1cc(C2CCN(C)C2)ccc1Cl | 10.1021/acs.jmedchem.1c00110 | ||||
CHEMBL5093342 | 215541 | 0 | None | -19 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
CHEMBL5095971 | 215541 | 0 | None | -19 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
10334023 | 112855 | 5 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 283 | 1 | 2 | 1 | 4.9 | c1ccc2c(-c3nccc4c3[nH]c3ccccc34)c[nH]c2c1 | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL3309924 | 112855 | 5 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 283 | 1 | 2 | 1 | 4.9 | c1ccc2c(-c3nccc4c3[nH]c3ccccc34)c[nH]c2c1 | 10.1021/acs.jmedchem.0c01887 | ||
CHEMBL5268604 | 193550 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 299 | 1 | 3 | 2 | 4.6 | Oc1ccc2[nH]c3c(-c4c[nH]c5ccccc45)nccc3c2c1 | 10.1021/acs.jmedchem.0c01887 | ||
162647063 | 179624 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 6 | 4 | 8 | 1.6 | CC(C)[C@@H](Nc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1016/j.bmcl.2020.127599 | ||
CHEMBL4743059 | 179624 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 6 | 4 | 8 | 1.6 | CC(C)[C@@H](Nc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1016/j.bmcl.2020.127599 | ||
162646751 | 179718 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 4 | 9 | 1.7 | CSc1nc(N[C@H](C(C)C)C2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(CO)C[C@H]34)c2n1 | 10.1016/j.bmcl.2020.127599 | ||
CHEMBL4744176 | 179718 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 4 | 9 | 1.7 | CSc1nc(N[C@H](C(C)C)C2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(CO)C[C@H]34)c2n1 | 10.1016/j.bmcl.2020.127599 | ||
90469115 | 185818 | 4 | None | -56 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | ||
CHEMBL4867565 | 185818 | 4 | None | -56 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | ||
67978437 | 120651 | 0 | None | -85 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402657 | 120651 | 0 | None | -85 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547010 | 120651 | 0 | None | -85 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
44404887 | 134404 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 340 | 8 | 2 | 4 | 3.0 | CCCCn1cc(CCN(C)C)c2c(OP(=O)(O)O)cccc21 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL371753 | 134404 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 340 | 8 | 2 | 4 | 3.0 | CCCCn1cc(CCN(C)C)c2c(OP(=O)(O)O)cccc21 | 10.1016/j.bmcl.2005.06.104 | ||
127051015 | 140849 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818128 | 140849 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819731 | 140849 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
11652359 | 89099 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 2.0 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1N(C)C2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337502 | 89099 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 2.0 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1N(C)C2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365706 | 89099 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 2.0 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1N(C)C2=O | 10.1016/j.bmcl.2012.10.091 | ||
45279963 | 80880 | 55 | None | 20 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 6 | 3 | 5 | 3.8 | O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21 | 10.6019/CHEMBL4507316 | ||
CHEMBL2152944 | 80880 | 55 | None | 20 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 6 | 3 | 5 | 3.8 | O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21 | 10.6019/CHEMBL4507316 | ||
45279963 | 80880 | 55 | None | 20 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 6 | 3 | 5 | 3.8 | O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21 | 10.6019/CHEMBL5212743 | ||
CHEMBL2152944 | 80880 | 55 | None | 20 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 6 | 3 | 5 | 3.8 | O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21 | 10.6019/CHEMBL5212743 | ||
46884101 | 8028 | 0 | None | -87 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
CHEMBL1091104 | 8028 | 0 | None | -87 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
25263302 | 191960 | 0 | None | -134 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 4 | 2 | 6 | 3.4 | O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1 | 10.1016/j.bmcl.2009.03.071 | ||
CHEMBL520129 | 191960 | 0 | None | -134 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 4 | 2 | 6 | 3.4 | O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1 | 10.1016/j.bmcl.2009.03.071 | ||
44409290 | 74622 | 0 | None | -45 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 273 | 4 | 1 | 4 | 1.7 | C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL203013 | 74622 | 0 | None | -45 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 273 | 4 | 1 | 4 | 1.7 | C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
16117279 | 60106 | 0 | None | -1778 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 398 | 5 | 3 | 5 | 3.7 | CC(C)c1ccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)cc1 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1642886 | 60106 | 0 | None | -1778 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 398 | 5 | 3 | 5 | 3.7 | CC(C)c1ccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)cc1 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1739606 | 60106 | 0 | None | -1778 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 398 | 5 | 3 | 5 | 3.7 | CC(C)c1ccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)cc1 | 10.1016/j.bmc.2010.10.033 | ||
57799326 | 89079 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 242 | 1 | 2 | 2 | 1.7 | Cc1cc(C2CC2)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337104 | 89079 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 242 | 1 | 2 | 2 | 1.7 | Cc1cc(C2CC2)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365468 | 89079 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 242 | 1 | 2 | 2 | 1.7 | Cc1cc(C2CC2)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
145988693 | 167142 | 0 | None | -7 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL4291048 | 167142 | 0 | None | -7 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
153287572 | 173398 | 0 | None | 11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 205 | 1 | 1 | 2 | 2.6 | CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4528651 | 173398 | 0 | None | 11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 205 | 1 | 1 | 2 | 2.6 | CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
49865887 | 16149 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 1 | 1 | 3 | 3.0 | O=C(NC1CCCCC1)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224103 | 16149 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 1 | 1 | 3 | 3.0 | O=C(NC1CCCCC1)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
1227 | 2472 | 43 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
2331 | 2472 | 43 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
3957 | 2472 | 43 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
4992 | 2472 | 43 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
CHEMBL511 | 2472 | 43 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
DB06691 | 2472 | 43 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
118055202 | 177170 | 0 | None | -12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.5 | CC1(C)CN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4635105 | 177170 | 0 | None | -12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.5 | CC1(C)CN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
118055282 | 177990 | 0 | None | -22 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 334 | 1 | 1 | 2 | 3.4 | FC(F)(F)CC1CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4646572 | 177990 | 0 | None | -22 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 334 | 1 | 1 | 2 | 3.4 | FC(F)(F)CC1CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
157 | 2056 | 7 | None | -20 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
9840090 | 2056 | 7 | None | -20 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
CHEMBL134519 | 2056 | 7 | None | -20 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
46230049 | 201522 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 237 | 0 | 2 | 3 | 0.8 | O=C1NC2CNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL605402 | 201522 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 237 | 0 | 2 | 3 | 0.8 | O=C1NC2CNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
18715564 | 73351 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 2 | 1 | 3 | 3.2 | C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL201454 | 73351 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 2 | 1 | 3 | 3.2 | C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
127053028 | 140617 | 1 | None | 8 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3814559 | 140617 | 1 | None | 8 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
127049982 | 140641 | 1 | None | 9 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3815000 | 140641 | 1 | None | 9 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
16115517 | 84809 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL223468 | 84809 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
23151712 | 120510 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 266 | 1 | 3 | 2 | 1.1 | NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310120 | 120510 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 266 | 1 | 3 | 2 | 1.1 | NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545471 | 120510 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 266 | 1 | 3 | 2 | 1.1 | NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
157 | 2056 | 7 | None | -20 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm030205t | ||
9840090 | 2056 | 7 | None | -20 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm030205t | ||
CHEMBL134519 | 2056 | 7 | None | -20 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm030205t | ||
49862237 | 14975 | 0 | None | -11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 | 10.1016/j.bmcl.2010.06.033 | ||
CHEMBL1209157 | 14975 | 0 | None | -11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 | 10.1016/j.bmcl.2010.06.033 | ||
1524 | 2168 | 96 | None | -229 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
197 | 2168 | 96 | None | -229 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
3822 | 2168 | 96 | None | -229 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
88 | 2168 | 96 | None | -229 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
CHEMBL51 | 2168 | 96 | None | -229 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
DB12465 | 2168 | 96 | None | -229 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
118055199 | 177931 | 0 | None | -33 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.9 | CC1(C)CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4645774 | 177931 | 0 | None | -33 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.9 | CC1(C)CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
44409124 | 74440 | 0 | None | -30 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 214 | 0 | 1 | 4 | 0.7 | C[C@@H]1CNC[C@H]2Cc3ccc(C#N)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL202795 | 74440 | 0 | None | -30 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 214 | 0 | 1 | 4 | 0.7 | C[C@@H]1CNC[C@H]2Cc3ccc(C#N)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
46914777 | 15411 | 0 | None | 18 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
CHEMBL1215038 | 15411 | 0 | None | 18 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
33630 | 178933 | 99 | None | -6 | 28 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL47050 | 178933 | 99 | None | -6 | 28 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
44582677 | 181549 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 10 | 1 | 6 | 3.9 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL476838 | 181549 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 10 | 1 | 6 | 3.9 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
71061729 | 160919 | 0 | None | -1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
CHEMBL4115493 | 160919 | 0 | None | -1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
25117679 | 200581 | 0 | None | -8 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.1 | Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21 | 10.1021/jm901674f | ||
CHEMBL599263 | 200581 | 0 | None | -8 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.1 | Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21 | 10.1021/jm901674f | ||
142601318 | 185521 | 0 | None | -12 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4863036 | 185521 | 0 | None | -12 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
134138183 | 147786 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 393 | 6 | 4 | 8 | 1.4 | CC[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3932820 | 147786 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 393 | 6 | 4 | 8 | 1.4 | CC[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
155567457 | 175925 | 0 | None | -158 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 359 | 2 | 3 | 6 | 2.8 | O[C@H]1CCC[C@@H]1Nc1nc(C#Cc2ccc(Cl)s2)nc2[nH]cnc12 | 10.1039/C8MD00317C | ||
CHEMBL4587951 | 175925 | 0 | None | -158 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 359 | 2 | 3 | 6 | 2.8 | O[C@H]1CCC[C@@H]1Nc1nc(C#Cc2ccc(Cl)s2)nc2[nH]cnc12 | 10.1039/C8MD00317C | ||
46914926 | 15399 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
CHEMBL1214960 | 15399 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
11579853 | 89056 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 230 | 1 | 2 | 2 | 1.4 | CCc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337504 | 89056 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 230 | 1 | 2 | 2 | 1.4 | CCc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365200 | 89056 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 230 | 1 | 2 | 2 | 1.4 | CCc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
119584 | 2577 | 102 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
1848 | 2577 | 102 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
242 | 2577 | 102 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
CHEMBL60889 | 2577 | 102 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
DB11675 | 2577 | 102 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
CHEMBL4750687 | 214014 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1ncc(-c2cc(Cl)ccc2F)cc1-n1c(=O)n(CC(N)=O)c2cnccc21 | 10.6019/CHEMBL5212743 | ||||
CHEMBL4741904 | 214009 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1ncc(-c2cc(Cl)ccc2F)cc1-n1c(=O)n(CC(N)=O)c2ccccc21 | 10.6019/CHEMBL5212743 | ||||
44316027 | 205499 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 236 | 4 | 1 | 3 | 2.5 | CCSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL80862 | 205499 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 236 | 4 | 1 | 3 | 2.5 | CCSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
11658860 | 2329 | 51 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
2941 | 2329 | 51 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
4374 | 2329 | 51 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
CHEMBL360328 | 2329 | 51 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
DB04871 | 2329 | 51 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
CHEMBL5074880 | 214316 | 0 | None | -1 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CCNCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
9899500 | 67860 | 0 | None | -14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL191054 | 67860 | 0 | None | -14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.05.074 | ||
11391654 | 180501 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 3.0 | CC(C)n1nc2c(c1-c1ccc(F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4753511 | 180501 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 3.0 | CC(C)n1nc2c(c1-c1ccc(F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
24873384 | 182577 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 2 | 1 | 3 | 2.8 | CC(C)n1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4788223 | 182577 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 2 | 1 | 3 | 2.8 | CC(C)n1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
134154065 | 152337 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 6 | 3 | 9 | 1.5 | COC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3970041 | 152337 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 6 | 3 | 9 | 1.5 | COC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
11020695 | 25482 | 1 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
CHEMBL135076 | 25482 | 1 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
879244 | 28168 | 8 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL1373650 | 28168 | 8 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
10791286 | 35287 | 0 | None | -9 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 491 | 3 | 1 | 3 | 6.1 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(Br)cc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14368 | 35287 | 0 | None | -9 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 491 | 3 | 1 | 3 | 6.1 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(Br)cc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
10526616 | 39476 | 0 | None | -15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 4.9 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3)nc1)CC2 | 10.1021/jm990388c | ||
CHEMBL14726 | 39476 | 0 | None | -15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 4.9 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3)nc1)CC2 | 10.1021/jm990388c | ||
44298229 | 101897 | 0 | None | -31 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.8 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL301012 | 101897 | 0 | None | -31 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.8 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
147653864 | 171537 | 0 | None | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 2.7 | C[C@@]12COc3c(Br)cccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4464697 | 171537 | 0 | None | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 2.7 | C[C@@]12COc3c(Br)cccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
153061504 | 172786 | 0 | None | 15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4513930 | 172786 | 0 | None | 15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
2389 | 3306 | 118 | None | -66 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm070516u | ||
5073 | 3306 | 118 | None | -66 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm070516u | ||
96 | 3306 | 118 | None | -66 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm070516u | ||
CHEMBL85 | 3306 | 118 | None | -66 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm070516u | ||
DB00734 | 3306 | 118 | None | -66 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm070516u | ||
2267 | 557 | 71 | None | -10 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
271 | 557 | 71 | None | -10 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
7121 | 557 | 71 | None | -10 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
CHEMBL639 | 557 | 71 | None | -10 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
DB00972 | 557 | 71 | None | -10 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
44298118 | 193387 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 442 | 5 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL52592 | 193387 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 442 | 5 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
12017599 | 195761 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 4 | 1 | 3 | 5.2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL55784 | 195761 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 4 | 1 | 3 | 5.2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
72698088 | 103962 | 0 | None | -954 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 5.4 | Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12 | 10.1016/j.bmc.2013.08.061 | ||
CHEMBL3093187 | 103962 | 0 | None | -954 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 5.4 | Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12 | 10.1016/j.bmc.2013.08.061 | ||
11175045 | 136516 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.9 | CC(C)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL373695 | 136516 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.9 | CC(C)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
135474338 | 189247 | 0 | None | 10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL511879 | 189247 | 0 | None | 10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
54761054 | 138056 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 367 | 3 | 1 | 5 | 4.0 | Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C | 10.1016/j.bmcl.2016.01.021 | ||
CHEMBL3765778 | 138056 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 367 | 3 | 1 | 5 | 4.0 | Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C | 10.1016/j.bmcl.2016.01.021 | ||
134149168 | 148222 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 2 | 0 | 2 | 3.6 | CN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 | 10.1016/j.bmcl.2016.10.065 | ||
CHEMBL3936289 | 148222 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 2 | 0 | 2 | 3.6 | CN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 | 10.1016/j.bmcl.2016.10.065 | ||
11499800 | 89078 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337503 | 89078 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365465 | 89078 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
25117680 | 200612 | 0 | None | -13 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.1 | CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21 | 10.1021/jm901674f | ||
CHEMBL599466 | 200612 | 0 | None | -13 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.1 | CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21 | 10.1021/jm901674f | ||
155536619 | 172177 | 0 | None | -75 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 254 | 3 | 4 | 7 | -2.3 | NC(=O)c1ncn([C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n1 | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4473739 | 172177 | 0 | None | -75 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 254 | 3 | 4 | 7 | -2.3 | NC(=O)c1ncn([C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n1 | 10.1021/acs.jmedchem.8b01662 | ||
122178710 | 121350 | 0 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OCc1ccccc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581255 | 121350 | 0 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OCc1ccccc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
11290492 | 137976 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 218 | 1 | 1 | 3 | 0.8 | COc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
CHEMBL376456 | 137976 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 218 | 1 | 1 | 3 | 0.8 | COc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
5318 | 15544 | 49 | None | -1 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1200348 | 15544 | 49 | None | -1 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1221 | 15544 | 49 | None | -1 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
1531 | 2253 | 69 | None | -16 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
3869 | 2253 | 69 | None | -16 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
7207 | 2253 | 69 | None | -16 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
CHEMBL429 | 2253 | 69 | None | -16 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
DB00598 | 2253 | 69 | None | -16 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
124 | 2960 | 47 | None | -181 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
2032 | 2960 | 47 | None | -181 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
4636 | 2960 | 47 | None | -181 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
CHEMBL762 | 2960 | 47 | None | -181 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
DB00935 | 2960 | 47 | None | -181 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
11416698 | 91078 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397902 | 91078 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
73349359 | 92514 | 0 | None | -2 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432051 | 92514 | 0 | None | -2 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
44582708 | 186814 | 0 | None | -1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 0 | 5 | 4.2 | COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL489408 | 186814 | 0 | None | -1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 0 | 5 | 4.2 | COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1 | 10.1016/j.bmc.2009.03.021 | ||
3191 | 102831 | 97 | None | -7 | 25 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
CHEMBL305660 | 102831 | 97 | None | -7 | 25 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
44414251 | 78044 | 0 | None | -158 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 7 | 0 | 4 | 4.8 | COc1ccc(N2CC=C(c3ccc(Br)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL210053 | 78044 | 0 | None | -158 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 7 | 0 | 4 | 4.8 | COc1ccc(N2CC=C(c3ccc(Br)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
44414070 | 79891 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 474 | 7 | 0 | 4 | 5.7 | COc1ccc(C2=C(C)CN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL212482 | 79891 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 474 | 7 | 0 | 4 | 5.7 | COc1ccc(C2=C(C)CN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
49850672 | 56356 | 0 | None | -794 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 404 | 5 | 1 | 5 | 4.1 | COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
CHEMBL1631532 | 56356 | 0 | None | -794 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 404 | 5 | 1 | 5 | 4.1 | COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
44298021 | 194736 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 5.9 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C(C)C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL53793 | 194736 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 5.9 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C(C)C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
18931377 | 206452 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1cccc(Cl)c1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL88193 | 206452 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1cccc(Cl)c1 | 10.1016/S0960-894X(96)00503-3 | ||
18931150 | 206805 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 393 | 7 | 2 | 5 | 2.4 | COc1cc(Cl)ccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL90470 | 206805 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 393 | 7 | 2 | 5 | 2.4 | COc1cc(Cl)ccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
153287566 | 171156 | 0 | None | -74 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 4.0 | CN1CC[C@H]2c3ccccc3N(c3ccccc3)C[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4459009 | 171156 | 0 | None | -74 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 4.0 | CN1CC[C@H]2c3ccccc3N(c3ccccc3)C[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
11292350 | 87912 | 0 | None | -79 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 394 | 6 | 0 | 4 | 4.3 | COc1ccc(N2Cc3cccc(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL234006 | 87912 | 0 | None | -79 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 394 | 6 | 0 | 4 | 4.3 | COc1ccc(N2Cc3cccc(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
11775262 | 88026 | 0 | None | -125 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL234532 | 88026 | 0 | None | -125 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
11430311 | 150023 | 0 | None | -158 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 5.2 | COc1ccc(N2C(=O)c3c(Cl)cccc3C2C)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL395059 | 150023 | 0 | None | -158 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 5.2 | COc1ccc(N2C(=O)c3c(Cl)cccc3C2C)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
11453704 | 150042 | 0 | None | -79 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.4 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCCCC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL395072 | 150042 | 0 | None | -79 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.4 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCCCC1 | 10.1016/j.bmcl.2006.10.029 | ||
11282335 | 150299 | 0 | None | -39 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)c(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL395297 | 150299 | 0 | None | -39 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)c(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
11753782 | 12774 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 6 | 0 | 5 | 4.2 | COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL1188213 | 12774 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 6 | 0 | 5 | 4.2 | COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL535626 | 12774 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 6 | 0 | 5 | 4.2 | COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
10458785 | 86733 | 0 | None | -50 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 5.1 | COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL232045 | 86733 | 0 | None | -50 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 5.1 | COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
10346749 | 88378 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 6 | 0 | 5 | 5.5 | COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL234947 | 88378 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 6 | 0 | 5 | 5.5 | COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
10390089 | 142336 | 0 | None | -125 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 5.2 | COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL388882 | 142336 | 0 | None | -125 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 5.2 | COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
44298138 | 195478 | 0 | None | -39 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(COc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL55344 | 195478 | 0 | None | -39 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(COc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
162660908 | 181396 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 4 | 1 | 3 | 4.0 | Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4763861 | 181396 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 4 | 1 | 3 | 4.0 | Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
162669225 | 182740 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 1 | 3 | 4.3 | O=c1cc(CCCc2cccc(Cl)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4790230 | 182740 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 1 | 3 | 4.3 | O=c1cc(CCCc2cccc(Cl)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
10812577 | 99017 | 1 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)ccc1F)CC2 | 10.1021/jm990388c | ||
CHEMBL280322 | 99017 | 1 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)ccc1F)CC2 | 10.1021/jm990388c | ||
10249573 | 207570 | 0 | None | -199 | 11 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 386 | 5 | 0 | 3 | 4.1 | CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
CHEMBL94984 | 207570 | 0 | None | -199 | 11 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 386 | 5 | 0 | 3 | 4.1 | CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
10237852 | 72375 | 0 | None | -316 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 411 | 7 | 0 | 6 | 3.6 | COc1ccc(-n2ccn(-c3cccc(F)c3)c2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL198712 | 72375 | 0 | None | -316 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 411 | 7 | 0 | 6 | 3.6 | COc1ccc(-n2ccn(-c3cccc(F)c3)c2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
24887517 | 169015 | 0 | None | -158 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 5.6 | COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL439504 | 169015 | 0 | None | -158 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 5.6 | COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
11191906 | 11735 | 0 | None | -39 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 537 | 12 | 1 | 3 | 7.3 | O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1 | 10.1016/j.bmcl.2005.06.024 | ||
CHEMBL1181665 | 11735 | 0 | None | -39 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 537 | 12 | 1 | 3 | 7.3 | O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1 | 10.1016/j.bmcl.2005.06.024 | ||
CHEMBL187928 | 11735 | 0 | None | -39 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 537 | 12 | 1 | 3 | 7.3 | O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1 | 10.1016/j.bmcl.2005.06.024 | ||
44298079 | 196300 | 0 | None | -19 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL56232 | 196300 | 0 | None | -19 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
44298193 | 199355 | 0 | None | -316 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL59097 | 199355 | 0 | None | -316 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
10433930 | 51059 | 0 | None | -999 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 449 | 5 | 2 | 5 | 3.9 | COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1 | 10.1016/s0960-894x(00)00597-7 | ||
CHEMBL157910 | 51059 | 0 | None | -999 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 449 | 5 | 2 | 5 | 3.9 | COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1 | 10.1016/s0960-894x(00)00597-7 | ||
118278424 | 121986 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 256 | 3 | 1 | 4 | 2.9 | O=c1cc(CCc2ccco2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
CHEMBL3593951 | 121986 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 256 | 3 | 1 | 4 | 2.9 | O=c1cc(CCc2ccco2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
24865725 | 188060 | 0 | None | -3981 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 4.2 | Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | ||
CHEMBL497963 | 188060 | 0 | None | -3981 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 4.2 | Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | ||
9892409 | 100923 | 0 | None | -398 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 505 | 5 | 1 | 6 | 5.3 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1 | 10.1016/s0960-894x(02)00172-5 | ||
CHEMBL29410 | 100923 | 0 | None | -398 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 505 | 5 | 1 | 6 | 5.3 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1 | 10.1016/s0960-894x(02)00172-5 | ||
448537 | 160226 | 89 | None | -21 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
CHEMBL411 | 160226 | 89 | None | -21 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm2006782 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm2006782 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm2006782 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm2006782 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm2006782 | ||
24826867 | 91066 | 0 | None | 3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397890 | 91066 | 0 | None | 3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
11323169 | 179943 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 269 | 2 | 1 | 3 | 3.1 | Cc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4746737 | 179943 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 269 | 2 | 1 | 3 | 3.1 | Cc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
2220 | 3112 | 82 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
27400 | 3112 | 82 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
93 | 3112 | 82 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL294951 | 3112 | 82 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
DB06153 | 3112 | 82 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
118717217 | 120550 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 4 | 2 | 3 | 1.6 | COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343667 | 120550 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 4 | 2 | 3 | 1.6 | COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545762 | 120550 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 4 | 2 | 3 | 1.6 | COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
72734862 | 106279 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 253 | 1 | 2 | 2 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092754 | 106279 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 253 | 1 | 2 | 2 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3139079 | 106279 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 253 | 1 | 2 | 2 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
44269058 | 31336 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 6 | 2 | 4 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
CHEMBL14022 | 31336 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 6 | 2 | 4 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
157 | 2056 | 7 | None | -20 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/acs.jmedchem.1c00726 | ||
9840090 | 2056 | 7 | None | -20 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/acs.jmedchem.1c00726 | ||
CHEMBL134519 | 2056 | 7 | None | -20 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/acs.jmedchem.1c00726 | ||
1043 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
149 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
8223 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
CHEMBL442 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
DB00696 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
10251906 | 67754 | 18 | None | -186 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1021/acs.jmedchem.2c00633 | ||
CHEMBL1908863 | 67754 | 18 | None | -186 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1021/acs.jmedchem.2c00633 | ||
CHEMBL482496 | 67754 | 18 | None | -186 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1021/acs.jmedchem.2c00633 | ||
72734867 | 106339 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Oc1ccccc1N2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092757 | 106339 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Oc1ccccc1N2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3139241 | 106339 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Oc1ccccc1N2 | 10.1016/j.bmc.2013.10.010 | ||
230 | 4088 | 25 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.12.009 | ||
3045225 | 4088 | 25 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL407909 | 4088 | 25 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.12.009 | ||
67781610 | 166930 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccc(Br)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4287193 | 166930 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccc(Br)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
16062910 | 97399 | 0 | None | -6 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 329 | 3 | 1 | 3 | 3.7 | Cc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL269974 | 97399 | 0 | None | -6 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 329 | 3 | 1 | 3 | 3.7 | Cc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
9839920 | 101681 | 0 | None | 10 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 316 | 2 | 2 | 3 | 4.4 | Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21 | 10.1016/s0960-894x(01)00343-2 | ||
CHEMBL299498 | 101681 | 0 | None | 10 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 316 | 2 | 2 | 3 | 4.4 | Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21 | 10.1016/s0960-894x(01)00343-2 | ||
146709966 | 175755 | 0 | None | 338 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4583909 | 175755 | 0 | None | 338 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
1042 | 1568 | 23 | None | -7 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
148 | 1568 | 23 | None | -7 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
443884 | 1568 | 23 | None | -7 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
CHEMBL119443 | 1568 | 23 | None | -7 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
DB01253 | 1568 | 23 | None | -7 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
11536844 | 115096 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343672 | 115096 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
206 | 2476 | 16 | None | -1 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
68848 | 2476 | 16 | None | -1 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
CHEMBL12314 | 2476 | 16 | None | -1 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
4376990 | 192985 | 5 | None | -1 | 11 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5207529 | 192985 | 5 | None | -1 | 11 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5222754 | 192985 | 5 | None | -1 | 11 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
153061504 | 172786 | 0 | None | 15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4513930 | 172786 | 0 | None | 15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
59752538 | 181128 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 3 | 1 | 4 | 3.7 | CC(C)n1nc2c(c1-c1ccc(OC(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4760784 | 181128 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 3 | 1 | 4 | 3.7 | CC(C)n1nc2c(c1-c1ccc(OC(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
11414582 | 181314 | 0 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 271 | 2 | 1 | 3 | 2.7 | Fc1ccc(-c2c3c(nn2C2CC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4762886 | 181314 | 0 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 271 | 2 | 1 | 3 | 2.7 | Fc1ccc(-c2c3c(nn2C2CC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
59752638 | 182373 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 253 | 2 | 1 | 3 | 2.6 | c1ccc(-c2c3c(nn2C2CC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4785470 | 182373 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 253 | 2 | 1 | 3 | 2.6 | c1ccc(-c2c3c(nn2C2CC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
189 | 3466 | 39 | None | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jnatprod.2c00365 | ||
5163 | 3466 | 39 | None | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL297784 | 3466 | 39 | None | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jnatprod.2c00365 | ||
3037629 | 184548 | 18 | None | 1 | 10 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 3.6 | C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
CHEMBL4848517 | 184548 | 18 | None | 1 | 10 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 3.6 | C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
66647021 | 120650 | 0 | None | -9 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402656 | 120650 | 0 | None | -9 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547009 | 120650 | 0 | None | -9 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
118729256 | 120683 | 0 | None | 6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402670 | 120683 | 0 | None | 6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547156 | 120683 | 0 | None | 6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
16062785 | 95092 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 3.1 | CC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL255543 | 95092 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 3.1 | CC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
16062784 | 95138 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 2 | 1 | 4 | 3.4 | N#Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL255802 | 95138 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 2 | 1 | 4 | 3.4 | N#Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
752521 | 198714 | 8 | None | 12 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 295 | 1 | 3 | 5 | 1.9 | CC1(C)N=C(N)N=C(Nc2cccc(Br)c2)N1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL582877 | 198714 | 8 | None | 12 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 295 | 1 | 3 | 5 | 1.9 | CC1(C)N=C(N)N=C(Nc2cccc(Br)c2)N1 | 10.1021/acs.jmedchem.5b01631 | ||
118729260 | 120662 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402672 | 120662 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547044 | 120662 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
118729274 | 120685 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402681 | 120685 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547175 | 120685 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
44435219 | 91763 | 0 | None | -6 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 367 | 2 | 0 | 2 | 6.2 | O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL241115 | 91763 | 0 | None | -6 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 367 | 2 | 0 | 2 | 6.2 | O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
155556618 | 174453 | 0 | None | -1905 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 417 | 6 | 3 | 7 | 2.7 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4554295 | 174453 | 0 | None | -1905 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 417 | 6 | 3 | 7 | 2.7 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
5897 | 105184 | 80 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
CHEMBL311469 | 105184 | 80 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
9926401 | 140850 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819556 | 140850 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819732 | 140850 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
71459553 | 83667 | 10 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 406 | 7 | 0 | 4 | 5.3 | COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1 | 10.1016/j.bmc.2012.09.044 | ||
CHEMBL2205360 | 83667 | 10 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 406 | 7 | 0 | 4 | 5.3 | COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1 | 10.1016/j.bmc.2012.09.044 | ||
9926401 | 140850 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819556 | 140850 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819732 | 140850 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
155554410 | 174370 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 331 | 2 | 2 | 5 | 0.6 | Cc1cccc(C)c1N1C(=O)[C@H](CO)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
CHEMBL4552298 | 174370 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 331 | 2 | 2 | 5 | 0.6 | Cc1cccc(C)c1N1C(=O)[C@H](CO)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
11615459 | 199225 | 0 | None | 10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590078 | 199225 | 0 | None | 10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
122186881 | 122955 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 429 | 4 | 0 | 5 | 5.2 | CCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3608451 | 122955 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 429 | 4 | 0 | 5 | 5.2 | CCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
11209786 | 137215 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 296 | 1 | 1 | 2 | 2.7 | O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL375170 | 137215 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 296 | 1 | 1 | 2 | 2.7 | O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
155558626 | 174737 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
CHEMBL4561016 | 174737 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
11336079 | 83447 | 0 | None | -6 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 0 | 1 | 2 | 1.8 | C#Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL220115 | 83447 | 0 | None | -6 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 0 | 1 | 2 | 1.8 | C#Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
11264955 | 204938 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 240 | 3 | 1 | 3 | 2.3 | CSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL76474 | 204938 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 240 | 3 | 1 | 3 | 2.3 | CSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
20824945 | 67558 | 0 | None | -16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.7 | Cc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL190124 | 67558 | 0 | None | -16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.7 | Cc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
196129 | 67769 | 17 | None | -26 | 15 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
CHEMBL1909065 | 67769 | 17 | None | -26 | 15 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
118055334 | 177446 | 0 | None | -34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 266 | 0 | 1 | 2 | 2.5 | CC1CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4639090 | 177446 | 0 | None | -34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 266 | 0 | 1 | 2 | 2.5 | CC1CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
24826963 | 91086 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 0 | 1 | 2 | 1.3 | Cc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397910 | 91086 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 0 | 1 | 2 | 1.3 | Cc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
71681897 | 91090 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 258 | 0 | 1 | 3 | 1.0 | O=C1c2ccc3c(c2C[C@@H]2CNCCN12)OCCC3 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397914 | 91090 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 258 | 0 | 1 | 3 | 1.0 | O=C1c2ccc3c(c2C[C@@H]2CNCCN12)OCCC3 | 10.1016/j.bmcl.2013.04.061 | ||
25123014 | 200408 | 0 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.1 | N[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
CHEMBL598229 | 200408 | 0 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.1 | N[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
126769 | 206019 | 42 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL536255 | 206019 | 42 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL85194 | 206019 | 42 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1016/j.bmcl.2016.05.079 | ||
189 | 3466 | 39 | None | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C4MD00418C | ||
5163 | 3466 | 39 | None | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C4MD00418C | ||
CHEMBL297784 | 3466 | 39 | None | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C4MD00418C | ||
127037059 | 136512 | 0 | None | 10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 445 | 11 | 0 | 5 | 5.6 | COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3736516 | 136512 | 0 | None | 10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 445 | 11 | 0 | 5 | 5.6 | COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL4777443 | 214023 | 0 | None | 11 | 14 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N1CCCC1CN[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 | 10.6019/CHEMBL5212743 | ||||
70687202 | 77949 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@@H]2Cc3ccccc3N21 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL2096809 | 77949 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@@H]2Cc3ccccc3N21 | 10.1016/j.bmcl.2005.05.074 | ||
18715558 | 73853 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ccncc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL201897 | 73853 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ccncc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
44451390 | 155726 | 2 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 210 | 1 | 2 | 2 | 2.1 | CNc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL405717 | 155726 | 2 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 210 | 1 | 2 | 2 | 2.1 | CNc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
118729246 | 120661 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402663 | 120661 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547043 | 120661 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
16062143 | 97666 | 0 | None | -19 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 283 | 2 | 1 | 3 | 3.2 | Fc1ccc(-c2nc(C3CCC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL271318 | 97666 | 0 | None | -19 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 283 | 2 | 1 | 3 | 3.2 | Fc1ccc(-c2nc(C3CCC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
134146585 | 148885 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 3 | 3 | 8 | -0.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)C)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3941738 | 148885 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 3 | 3 | 8 | -0.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)C)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
117209911 | 186305 | 1 | None | -26 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1ccccc1-c1n[nH]cc1N1CCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4874854 | 186305 | 1 | None | -26 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1ccccc1-c1n[nH]cc1N1CCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
24826786 | 91057 | 0 | None | -8 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 0.7 | O=C1c2ccccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397881 | 91057 | 0 | None | -8 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 0.7 | O=C1c2ccccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
10330266 | 21371 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 194 | 3 | 1 | 2 | 2.3 | CN(C)CCc1c[nH]c2ccsc12 | 10.1021/jm980692q | ||
CHEMBL13147 | 21371 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 194 | 3 | 1 | 2 | 2.3 | CN(C)CCc1c[nH]c2ccsc12 | 10.1021/jm980692q | ||
4011 | 82379 | 49 | None | -20 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL21731 | 82379 | 49 | None | -20 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
155512086 | 169597 | 0 | None | -407 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 6 | 4 | 8 | 1.5 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4436786 | 169597 | 0 | None | -407 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 6 | 4 | 8 | 1.5 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
137645406 | 157878 | 0 | None | -269 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
CHEMBL4084262 | 157878 | 0 | None | -269 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
CHEMBL4526351 | 213960 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1cc(NC(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc(-n2ccn3nc(-c4cccnc4)cc23)c1 | 10.6019/CHEMBL5212743 | ||||
117209857 | 185114 | 1 | None | -5 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4856702 | 185114 | 1 | None | -5 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
4601 | 206724 | 35 | None | -4 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL1201023 | 206724 | 35 | None | -4 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL900 | 206724 | 35 | None | -4 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
68617 | 205504 | 62 | None | -15 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL1709 | 205504 | 62 | None | -15 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL809 | 205504 | 62 | None | -15 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
104697662 | 145380 | 1 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 3.3 | Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3914002 | 145380 | 1 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 3.3 | Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1 | 10.1021/acs.jmedchem.6b01183 | ||
71682217 | 91089 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1c(C)ccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397913 | 91089 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1c(C)ccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
44409032 | 74993 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 223 | 0 | 1 | 3 | 1.5 | C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N21 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL203396 | 74993 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 223 | 0 | 1 | 3 | 1.5 | C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N21 | 10.1016/j.bmcl.2005.11.083 | ||
165193 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
2303 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
4946 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
564 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
62882 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
63 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
66366 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
91536 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
CHEMBL27 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
CHEMBL452861 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
DB00571 | 3165 | 68 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
2353 | 101085 | 82 | None | -7 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
CHEMBL12089 | 101085 | 82 | None | -7 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
CHEMBL295124 | 101085 | 82 | None | -7 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
10440 | 2662 | 20 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
139030523 | 2662 | 20 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
CHEMBL4449712 | 2662 | 20 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
3117 | 207818 | 103 | None | -8 | 16 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
CHEMBL964 | 207818 | 103 | None | -8 | 16 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
145992489 | 166953 | 0 | None | -6 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 535 | 7 | 1 | 2 | 7.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL4287623 | 166953 | 0 | None | -6 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 535 | 7 | 1 | 2 | 7.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
118055195 | 177993 | 0 | None | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 2.0 | Cc1ccc2c3c1C(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4646618 | 177993 | 0 | None | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 2.0 | Cc1ccc2c3c1C(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
122178704 | 121344 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 397 | 6 | 0 | 5 | 4.6 | CCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581249 | 121344 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 397 | 6 | 0 | 5 | 4.6 | CCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
16047544 | 12616 | 8 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
CHEMBL1187185 | 12616 | 8 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
CHEMBL492916 | 12616 | 8 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
16062911 | 97683 | 0 | None | -27 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 4.4 | FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL271418 | 97683 | 0 | None | -27 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 4.4 | FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
189 | 3466 | 39 | None | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C8MD00204E | ||
5163 | 3466 | 39 | None | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C8MD00204E | ||
CHEMBL297784 | 3466 | 39 | None | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C8MD00204E | ||
11658860 | 2329 | 51 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2019.126929 | ||
2941 | 2329 | 51 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2019.126929 | ||
4374 | 2329 | 51 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL360328 | 2329 | 51 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2019.126929 | ||
DB04871 | 2329 | 51 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2019.126929 | ||
11187156 | 136329 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 3 | 1 | 2 | 3.1 | CCCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL373483 | 136329 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 3 | 1 | 2 | 3.1 | CCCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
16062270 | 97645 | 0 | None | -100 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(C3CCCC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL271212 | 97645 | 0 | None | -100 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(C3CCCC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
16062266 | 97665 | 0 | None | -169 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 337 | 3 | 1 | 3 | 3.7 | Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL271317 | 97665 | 0 | None | -169 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 337 | 3 | 1 | 3 | 3.7 | Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
2284 | 3160 | 33 | None | -16 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
4926 | 3160 | 33 | None | -16 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
7281 | 3160 | 33 | None | -16 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
CHEMBL564 | 3160 | 33 | None | -16 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
DB00420 | 3160 | 33 | None | -16 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
9837204 | 74664 | 1 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 209 | 0 | 1 | 3 | 1.1 | Clc1ccc2c(n1)N1CCNCC1C2 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL203025 | 74664 | 1 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 209 | 0 | 1 | 3 | 1.1 | Clc1ccc2c(n1)N1CCNCC1C2 | 10.1016/j.bmcl.2005.11.083 | ||
49865829 | 16127 | 0 | None | 22 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 330 | 1 | 1 | 3 | 4.1 | O=C(Nc1ccccc1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224031 | 16127 | 0 | None | 22 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 330 | 1 | 1 | 3 | 4.1 | O=C(Nc1ccccc1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
51352628 | 82798 | 10 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 353 | 5 | 0 | 7 | 2.1 | COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)ccnn23)cn1 | 10.6019/CHEMBL4800727 | ||
CHEMBL2180408 | 82798 | 10 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 353 | 5 | 0 | 7 | 2.1 | COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)ccnn23)cn1 | 10.6019/CHEMBL4800727 | ||
16062139 | 157643 | 0 | None | -204 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 285 | 3 | 1 | 3 | 3.4 | CCC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL408154 | 157643 | 0 | None | -204 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 285 | 3 | 1 | 3 | 3.4 | CCC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
71463061 | 83766 | 0 | None | -3 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205813 | 83766 | 0 | None | -3 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
2351 | 3261 | 64 | None | -7 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
2820 | 3261 | 64 | None | -7 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
5035 | 3261 | 64 | None | -7 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
CHEMBL81 | 3261 | 64 | None | -7 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
DB00481 | 3261 | 64 | None | -7 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
156012918 | 177424 | 0 | None | -7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.2 | Clc1ccc2c3c1CCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4638807 | 177424 | 0 | None | -7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.2 | Clc1ccc2c3c1CCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
24826870 | 91074 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397898 | 91074 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
444795 | 139974 | 105 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | nan | ||
CHEMBL38 | 139974 | 105 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | nan | ||
136118613 | 93034 | 0 | None | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3cccc(Br)c23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442275 | 93034 | 0 | None | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3cccc(Br)c23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
51352628 | 82798 | 10 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 353 | 5 | 0 | 7 | 2.1 | COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)ccnn23)cn1 | 10.6019/CHEMBL4800727 | ||
CHEMBL2180408 | 82798 | 10 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 353 | 5 | 0 | 7 | 2.1 | COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)ccnn23)cn1 | 10.6019/CHEMBL4800727 | ||
CHEMBL5271021 | 193643 | 0 | None | 11 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1039/D1MD00167A | ||
26987 | 946 | 33 | None | -47 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
6063 | 946 | 33 | None | -47 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
671 | 946 | 33 | None | -47 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
CHEMBL1626 | 946 | 33 | None | -47 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
DB00283 | 946 | 33 | None | -47 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
46230099 | 199289 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CCNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590483 | 199289 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CCNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
11514226 | 89081 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337494 | 89081 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365470 | 89081 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
15560577 | 185317 | 9 | None | 1 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
CHEMBL4859858 | 185317 | 9 | None | 1 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
134152052 | 153059 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3976121 | 153059 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
134152052 | 153059 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL3976121 | 153059 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL5094493 | 215476 | 0 | None | -11 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CCCN(CCC)CCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
72698087 | 103961 | 0 | None | -2089 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 407 | 5 | 0 | 4 | 5.0 | Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc12 | 10.1016/j.bmc.2013.08.061 | ||
CHEMBL3093186 | 103961 | 0 | None | -2089 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 407 | 5 | 0 | 4 | 5.0 | Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc12 | 10.1016/j.bmc.2013.08.061 | ||
10251906 | 67754 | 18 | None | -186 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1016/j.bmc.2008.04.050 | ||
CHEMBL1908863 | 67754 | 18 | None | -186 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1016/j.bmc.2008.04.050 | ||
CHEMBL482496 | 67754 | 18 | None | -186 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1016/j.bmc.2008.04.050 | ||
155539605 | 172821 | 0 | None | 3 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
CHEMBL4514672 | 172821 | 0 | None | 3 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
127034730 | 136414 | 0 | None | 9 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 523 | 14 | 0 | 8 | 5.1 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735643 | 136414 | 0 | None | 9 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 523 | 14 | 0 | 8 | 5.1 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
46914927 | 15387 | 0 | None | 14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
CHEMBL1214893 | 15387 | 0 | None | 14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
91864602 | 140713 | 0 | None | -66 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818047 | 140713 | 0 | None | -66 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.05.053 | ||
135514796 | 93029 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 226 | 1 | 4 | 2 | 1.2 | N=C1NC(=O)/C(=C\c2c[nH]c3ccccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442270 | 93029 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 226 | 1 | 4 | 2 | 1.2 | N=C1NC(=O)/C(=C\c2c[nH]c3ccccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
142601323 | 185817 | 0 | None | -9 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1ccccc1-c1n[nH]cc1N1CCCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4867560 | 185817 | 0 | None | -9 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1ccccc1-c1n[nH]cc1N1CCCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
3973 | 208157 | 110 | None | -44 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 307 | 2 | 0 | 4 | 3.3 | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 | nan | ||
CHEMBL98350 | 208157 | 110 | None | -44 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 307 | 2 | 0 | 4 | 3.3 | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 | nan | ||
3157 | 1458 | 71 | None | -37 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
7170 | 1458 | 71 | None | -37 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
954 | 1458 | 71 | None | -37 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
CHEMBL707 | 1458 | 71 | None | -37 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
DB00590 | 1458 | 71 | None | -37 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
91864602 | 140713 | 0 | None | -66 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818047 | 140713 | 0 | None | -66 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.05.053 | ||
16115388 | 137341 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 1 | 1 | 2 | 2.6 | CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
CHEMBL375302 | 137341 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 1 | 1 | 2 | 2.6 | CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
11185858 | 84763 | 0 | None | -7 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
CHEMBL223271 | 84763 | 0 | None | -7 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
71061785 | 160472 | 0 | None | -6 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 386 | 5 | 0 | 4 | 3.0 | O=C(CN1CCO[C@@H](COc2cccc(Cl)c2)C1)N1CCc2ccccc21 | nan | ||
CHEMBL4112056 | 160472 | 0 | None | -6 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 386 | 5 | 0 | 4 | 3.0 | O=C(CN1CCO[C@@H](COc2cccc(Cl)c2)C1)N1CCc2ccccc21 | nan | ||
10430623 | 18643 | 24 | None | -213 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.0 | O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(N3CCNCC3)cc12 | 10.1021/jm1007825 | ||
CHEMBL1277105 | 18643 | 24 | None | -213 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.0 | O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(N3CCNCC3)cc12 | 10.1021/jm1007825 | ||
72901200 | 119751 | 25 | None | -162 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | 10.6019/CHEMBL5212743 | ||
CHEMBL3480577 | 119751 | 25 | None | -162 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | 10.6019/CHEMBL5212743 | ||
11587397 | 89027 | 0 | None | -12 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337489 | 89027 | 0 | None | -12 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2364893 | 89027 | 0 | None | -12 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
6726 | 1269 | 51 | None | -7 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
7151 | 1269 | 51 | None | -7 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
749 | 1269 | 51 | None | -7 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL648 | 1269 | 51 | None | -7 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB01176 | 1269 | 51 | None | -7 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
44579715 | 193228 | 0 | None | -2238 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 4 | 3 | 7 | 2.7 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL523797 | 193228 | 0 | None | -2238 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 4 | 3 | 7 | 2.7 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21 | 10.1021/acs.jmedchem.6b01183 | ||
46230048 | 199267 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1N1CCNCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590332 | 199267 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1N1CCNCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
118055215 | 177432 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.2 | Cc1ccc2c3c1C(C)(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4638879 | 177432 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.2 | Cc1ccc2c3c1C(C)(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
1355 | 1998 | 88 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
142 | 1998 | 88 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL478 | 1998 | 88 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
DB12110 | 1998 | 88 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
11652452 | 89097 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337492 | 89097 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365703 | 89097 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
162668650 | 182649 | 0 | None | -7 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 284 | 3 | 2 | 4 | 2.9 | CNc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4789085 | 182649 | 0 | None | -7 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 284 | 3 | 2 | 4 | 2.9 | CNc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
3251 | 4041 | 58 | None | -79 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
5684 | 4041 | 58 | None | -79 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
80 | 4041 | 58 | None | -79 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
CHEMBL31354 | 4041 | 58 | None | -79 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
1355 | 1998 | 88 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
142 | 1998 | 88 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
CHEMBL478 | 1998 | 88 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
DB12110 | 1998 | 88 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
16115381 | 83414 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
CHEMBL219837 | 83414 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
10015055 | 2090 | 4 | None | -120 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
1212 | 2090 | 4 | None | -120 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402679 | 2090 | 4 | None | -120 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
46884100 | 7985 | 0 | None | -104 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 314 | 5 | 2 | 3 | 3.0 | O=C(NCc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
CHEMBL1090757 | 7985 | 0 | None | -104 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 314 | 5 | 2 | 3 | 3.0 | O=C(NCc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
145978665 | 163494 | 0 | None | 1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 2.4 | C[C@@H]1SC(c2c[nH]c3ccccc23)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4202582 | 163494 | 0 | None | 1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 2.4 | C[C@@H]1SC(c2c[nH]c3ccccc23)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
2142 | 3074 | 58 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
4920903 | 3074 | 58 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
502 | 3074 | 58 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
5775 | 3074 | 58 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
CHEMBL597 | 3074 | 58 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
DB00692 | 3074 | 58 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
56678761 | 65638 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834257 | 65638 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
46914773 | 15397 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.1 | FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
CHEMBL1214958 | 15397 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.1 | FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
9921064 | 127152 | 25 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 236 | 3 | 1 | 1 | 3.2 | Cc1[nH]c2ccc(Cl)cc2c1CCN(C)C | 10.1021/acs.jmedchem.5b00179 | ||
CHEMBL365751 | 127152 | 25 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 236 | 3 | 1 | 1 | 3.2 | Cc1[nH]c2ccc(Cl)cc2c1CCN(C)C | 10.1021/acs.jmedchem.5b00179 | ||
22254068 | 65940 | 32 | None | -173 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836317 | 65940 | 32 | None | -173 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
11536299 | 183262 | 8 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 266 | 3 | 1 | 3 | 3.3 | O=c1cc(CCc2ccccc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2014.02.029 | ||
CHEMBL479683 | 183262 | 8 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 266 | 3 | 1 | 3 | 3.3 | O=c1cc(CCc2ccccc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2014.02.029 | ||
145990586 | 166819 | 0 | None | -19 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
CHEMBL4285281 | 166819 | 0 | None | -19 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
136118660 | 76227 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058428 | 76227 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
135367816 | 164811 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 248 | 1 | 1 | 3 | 2.7 | Clc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
CHEMBL4218801 | 164811 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 248 | 1 | 1 | 3 | 2.7 | Clc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
11483068 | 84783 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
CHEMBL223440 | 84783 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
11414184 | 83469 | 0 | None | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)C2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL220274 | 83469 | 0 | None | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)C2CNCCN12 | 10.1021/jm0612968 | ||
43922 | 114739 | 10 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 250 | 4 | 2 | 2 | 2.0 | COc1cc2c(CCNC(C)=O)c[nH]c2cc1F | 10.1021/jm100600y | ||
CHEMBL333886 | 114739 | 10 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 250 | 4 | 2 | 2 | 2.0 | COc1cc2c(CCNC(C)=O)c[nH]c2cc1F | 10.1021/jm100600y | ||
1212 | 1649 | 50 | None | -27 | 66 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1649 | 50 | None | -27 | 66 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1649 | 50 | None | -27 | 66 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1649 | 50 | None | -27 | 66 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1649 | 50 | None | -27 | 66 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
9856509 | 95938 | 4 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 0 | 1 | 1 | 2.8 | Clc1c(Br)ccc2c1CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL259480 | 95938 | 4 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 0 | 1 | 1 | 2.8 | Clc1c(Br)ccc2c1CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
168293016 | 192086 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 411 | 7 | 0 | 5 | 5.0 | CCCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5203303 | 192086 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 411 | 7 | 0 | 5 | 5.0 | CCCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
10599545 | 36372 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14469 | 36372 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
10436045 | 3490 | 4 | None | -7 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
782 | 3490 | 4 | None | -7 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL432713 | 3490 | 4 | None | -7 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
189 | 3466 | 39 | None | -5 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970741j | ||
5163 | 3466 | 39 | None | -5 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970741j | ||
CHEMBL297784 | 3466 | 39 | None | -5 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970741j | ||
11391654 | 180501 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 3.0 | CC(C)n1nc2c(c1-c1ccc(F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4753511 | 180501 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 3.0 | CC(C)n1nc2c(c1-c1ccc(F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
189 | 3466 | 39 | None | -5 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970424c | ||
5163 | 3466 | 39 | None | -5 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970424c | ||
CHEMBL297784 | 3466 | 39 | None | -5 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970424c | ||
10835537 | 38597 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccccc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14652 | 38597 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccccc3)c1)CC2 | 10.1021/jm990388c | ||
10574607 | 40614 | 0 | None | -7 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 6.1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccncc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14841 | 40614 | 0 | None | -7 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 6.1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccncc3)c1)CC2 | 10.1021/jm990388c | ||
44298249 | 194561 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3cccnc3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL53063 | 194561 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3cccnc3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
44298121 | 194805 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(C(F)(F)F)cc43)cn2)n1 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL53939 | 194805 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(C(F)(F)F)cc43)cn2)n1 | 10.1016/s0960-894x(00)00365-6 | ||
44214723 | 195471 | 0 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.6 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)cc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL55335 | 195471 | 0 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.6 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)cc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
1225 | 1459 | 26 | None | -89 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | 10.1021/acsmedchemlett.8b00300 | ||
3958 | 1459 | 26 | None | -89 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | 10.1021/acsmedchemlett.8b00300 | ||
667477 | 1459 | 26 | None | -89 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL860 | 1459 | 26 | None | -89 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | 10.1021/acsmedchemlett.8b00300 | ||
DB01142 | 1459 | 26 | None | -89 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | 10.1021/acsmedchemlett.8b00300 | ||
20824946 | 123617 | 0 | None | -7 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 1 | 2 | 3 | 0.9 | C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL361929 | 123617 | 0 | None | -7 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 1 | 2 | 3 | 0.9 | C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
118729244 | 120660 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402662 | 120660 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547029 | 120660 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
122188579 | 123158 | 0 | None | -1479 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 471 | 4 | 4 | 8 | 2.0 | CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acsmedchemlett.5b00150 | ||
CHEMBL3612940 | 123158 | 0 | None | -1479 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 471 | 4 | 4 | 8 | 2.0 | CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acsmedchemlett.5b00150 | ||
16062137 | 97684 | 0 | None | -125 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 319 | 3 | 1 | 3 | 3.5 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL271419 | 97684 | 0 | None | -125 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 319 | 3 | 1 | 3 | 3.5 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
44298186 | 101684 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 4 | 1 | 5 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cc1C)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL299506 | 101684 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 4 | 1 | 5 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cc1C)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
44298120 | 194977 | 0 | None | -158 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 5.2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL54775 | 194977 | 0 | None | -158 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 5.2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | 10.1016/s0960-894x(00)00364-4 | ||
44323840 | 206549 | 0 | None | -6 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 586 | 12 | 3 | 9 | 2.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL88809 | 206549 | 0 | None | -6 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 586 | 12 | 3 | 9 | 2.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
155519891 | 170369 | 0 | None | 2 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4447975 | 170369 | 0 | None | 2 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | ||
155526977 | 171097 | 0 | None | 10 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 221 | 2 | 1 | 3 | 2.3 | CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4458099 | 171097 | 0 | None | 10 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 221 | 2 | 1 | 3 | 2.3 | CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
153287541 | 172171 | 0 | None | -12 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 1 | 0 | 2 | 3.9 | CN1CC[C@H]2c3cccc(-c4ccccc4)c3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4473697 | 172171 | 0 | None | -12 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 1 | 0 | 2 | 3.9 | CN1CC[C@H]2c3cccc(-c4ccccc4)c3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
153287539 | 176050 | 0 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 1 | 1 | 2 | 3.6 | C[C@@]12COc3ccc(-c4ccccc4)cc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4591008 | 176050 | 0 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 1 | 1 | 2 | 3.6 | C[C@@]12COc3ccc(-c4ccccc4)cc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
11465413 | 88014 | 0 | None | -125 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.7 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL234494 | 88014 | 0 | None | -125 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.7 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
11305844 | 88147 | 0 | None | -630 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 466 | 6 | 0 | 4 | 5.1 | COc1ccc(N2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL234739 | 88147 | 0 | None | -630 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 466 | 6 | 0 | 4 | 5.1 | COc1ccc(N2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
10368204 | 86735 | 0 | None | -15 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4ccc(F)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL232047 | 86735 | 0 | None | -15 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4ccc(F)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
2337 | 3232 | 77 | None | -15 | 63 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
50 | 3232 | 77 | None | -15 | 63 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
5002 | 3232 | 77 | None | -15 | 63 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
CHEMBL716 | 3232 | 77 | None | -15 | 63 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
DB01224 | 3232 | 77 | None | -15 | 63 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
76325516 | 105704 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.7 | O=c1cc(CCCc2ccccc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
CHEMBL3126299 | 105704 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.7 | O=c1cc(CCCc2ccccc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
18357724 | 196574 | 0 | None | -31 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2ccc(C(F)(F)F)cc21 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL56405 | 196574 | 0 | None | -31 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2ccc(C(F)(F)F)cc21 | 10.1016/s0960-894x(00)00365-6 | ||
162645563 | 179666 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.7 | O=c1cc(CCCc2ccc(C(F)(F)F)cc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4743625 | 179666 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.7 | O=c1cc(CCCc2ccc(C(F)(F)F)cc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
162648564 | 179897 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 314 | 4 | 1 | 3 | 4.3 | O=c1cc(CCCc2ccc(Cl)cc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4746138 | 179897 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 314 | 4 | 1 | 3 | 4.3 | O=c1cc(CCCc2ccc(Cl)cc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
162666438 | 182246 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 4 | 1 | 3 | 3.8 | O=c1cc(CCCc2cccc(F)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4783824 | 182246 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 4 | 1 | 3 | 3.8 | O=c1cc(CCCc2cccc(F)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
44298126 | 101568 | 0 | None | -158 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c(Cl)cccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL298696 | 101568 | 0 | None | -158 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c(Cl)cccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
10085260 | 170603 | 0 | None | -66 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2 | 10.1021/jm980076u | ||
CHEMBL445106 | 170603 | 0 | None | -66 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2 | 10.1021/jm980076u | ||
71086303 | 160786 | 0 | None | 1 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 373 | 6 | 0 | 5 | 2.9 | Clc1cncc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
CHEMBL4114493 | 160786 | 0 | None | 1 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 373 | 6 | 0 | 5 | 2.9 | Clc1cncc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
117209965 | 185223 | 1 | None | -10 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 2 | 2 | 3 | 2.1 | Clc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4858338 | 185223 | 1 | None | -10 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 2 | 2 | 3 | 2.1 | Clc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
46914775 | 15398 | 0 | None | 3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
CHEMBL1214959 | 15398 | 0 | None | 3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
127035062 | 136426 | 0 | None | -4 | 19 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3735756 | 136426 | 0 | None | -4 | 19 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
127035062 | 136426 | 0 | None | -4 | 19 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735756 | 136426 | 0 | None | -4 | 19 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
15011385 | 161528 | 4 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 244 | 3 | 1 | 2 | 2.6 | CN(C)CCc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
CHEMBL412876 | 161528 | 4 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 244 | 3 | 1 | 2 | 2.6 | CN(C)CCc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
45378936 | 199483 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 5 | 1 | 6 | 4.2 | CC(C)Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12 | 10.1021/jm901674f | ||
CHEMBL591940 | 199483 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 5 | 1 | 6 | 4.2 | CC(C)Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12 | 10.1021/jm901674f | ||
70695555 | 77932 | 1 | None | -14 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@H]1CNC[C@@H]2Cc3ccccc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL2096711 | 77932 | 1 | None | -14 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@H]1CNC[C@@H]2Cc3ccccc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
168286277 | 191591 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 3 | 2 | 3 | 6.5 | Ic1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)cc1 | 10.1021/acs.jmedchem.2c01170 | ||
CHEMBL5195535 | 191591 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 3 | 2 | 3 | 6.5 | Ic1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)cc1 | 10.1021/acs.jmedchem.2c01170 | ||
1599 | 2326 | 50 | None | -144 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
3955 | 2326 | 50 | None | -144 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
7215 | 2326 | 50 | None | -144 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL841 | 2326 | 50 | None | -144 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
DB00836 | 2326 | 50 | None | -144 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
46914771 | 15379 | 0 | None | 12 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
CHEMBL1214831 | 15379 | 0 | None | 12 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
165193 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
2303 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
4946 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
564 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
62882 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
63 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
66366 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
91536 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
CHEMBL27 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
CHEMBL452861 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
DB00571 | 3165 | 68 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
4209 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
4893 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
503 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
5385 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
CHEMBL2 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
DB00457 | 3141 | 75 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
10085260 | 170603 | 0 | None | -66 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2 | 10.1021/jm980076u | ||
CHEMBL445106 | 170603 | 0 | None | -66 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2 | 10.1021/jm980076u | ||
135433933 | 177014 | 1 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL463249 | 177014 | 1 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
136118728 | 93032 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442273 | 93032 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
90181059 | 160207 | 0 | None | -1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 382 | 6 | 0 | 5 | 2.4 | COc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 | nan | ||
CHEMBL4109801 | 160207 | 0 | None | -1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 382 | 6 | 0 | 5 | 2.4 | COc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 | nan | ||
10472143 | 119251 | 0 | None | -60 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
CHEMBL343755 | 119251 | 0 | None | -60 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
59757153 | 106316 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1-c1ccccc1C2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092762 | 106316 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1-c1ccccc1C2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3139190 | 106316 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1-c1ccccc1C2 | 10.1016/j.bmc.2013.10.010 | ||
118464427 | 138309 | 0 | None | 15 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 3 | 4 | 6 | 1.8 | CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3771331 | 138309 | 0 | None | 15 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 3 | 4 | 6 | 1.8 | CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
118709750 | 113513 | 0 | None | -24 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1 | 10.1016/j.bmcl.2014.07.018 | ||
CHEMBL3321791 | 113513 | 0 | None | -24 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1 | 10.1016/j.bmcl.2014.07.018 | ||
44453652 | 155431 | 0 | None | 4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 273 | 1 | 1 | 3 | 2.8 | Cc1nc2c(c(-c3ccc(Cl)cc3)n1)CCNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL403902 | 155431 | 0 | None | 4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 273 | 1 | 1 | 3 | 2.8 | Cc1nc2c(c(-c3ccc(Cl)cc3)n1)CCNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
73349361 | 92519 | 0 | None | -3 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432058 | 92519 | 0 | None | -3 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
136118636 | 76285 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2cc(Br)ccc12 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058696 | 76285 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2cc(Br)ccc12 | 10.1016/j.bmc.2013.09.011 | ||
43229249 | 140792 | 1 | None | -70 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 5 | 0 | 2 | 3.7 | O=C(CCCN1CCc2ccccc2C1)c1ccccc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818989 | 140792 | 1 | None | -70 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 5 | 0 | 2 | 3.7 | O=C(CCCN1CCc2ccccc2C1)c1ccccc1 | 10.1016/j.bmc.2016.05.053 | ||
25067564 | 201277 | 0 | None | -61 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.1 | N[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
CHEMBL604102 | 201277 | 0 | None | -61 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.1 | N[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
56658157 | 65639 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 348 | 7 | 0 | 3 | 4.6 | c1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834258 | 65639 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 348 | 7 | 0 | 3 | 4.6 | c1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
43229249 | 140792 | 1 | None | -70 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 5 | 0 | 2 | 3.7 | O=C(CCCN1CCc2ccccc2C1)c1ccccc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818989 | 140792 | 1 | None | -70 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 5 | 0 | 2 | 3.7 | O=C(CCCN1CCc2ccccc2C1)c1ccccc1 | 10.1016/j.bmc.2016.05.053 | ||
44582706 | 186973 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 10 | 1 | 5 | 4.0 | COc1ccc(CCN2CCC(C(O)c3cccc(OCCF)c3OC)CC2)cc1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL490633 | 186973 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 10 | 1 | 5 | 4.0 | COc1ccc(CCN2CCC(C(O)c3cccc(OCCF)c3OC)CC2)cc1 | 10.1016/j.bmc.2009.03.021 | ||
3035850 | 948 | 73 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1039/D1MD00167A | ||
457 | 948 | 73 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1039/D1MD00167A | ||
CHEMBL431733 | 948 | 73 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1039/D1MD00167A | ||
DB12885 | 948 | 73 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1039/D1MD00167A | ||
3035850 | 948 | 73 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
457 | 948 | 73 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL431733 | 948 | 73 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
DB12885 | 948 | 73 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
145973771 | 164695 | 0 | None | -3 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
CHEMBL4217398 | 164695 | 0 | None | -3 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
21138 | 98423 | 39 | None | -6 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
CHEMBL275742 | 98423 | 39 | None | -6 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
46914486 | 15388 | 0 | None | 13 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
CHEMBL1214894 | 15388 | 0 | None | 13 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
124087 | 1377 | 114 | None | -5 | 15 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
7157 | 1377 | 114 | None | -5 | 15 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
814 | 1377 | 114 | None | -5 | 15 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
CHEMBL1172 | 1377 | 114 | None | -5 | 15 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
DB00967 | 1377 | 114 | None | -5 | 15 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
118055191 | 177291 | 0 | None | -31 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 280 | 0 | 1 | 2 | 2.7 | CC1(C)CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4636977 | 177291 | 0 | None | -31 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 280 | 0 | 1 | 2 | 2.7 | CC1(C)CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL5074190 | 214291 | 0 | None | -112 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | COc1ccccc1-c1cc(CCN(C)C)ccc1Cl | 10.1021/acs.jmedchem.1c00110 | ||||
11701315 | 199266 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1ccc2c(c1)N1CCNCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590331 | 199266 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1ccc2c(c1)N1CCNCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
44554393 | 18515 | 0 | None | -61 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 5 | 1 | 6 | 4.1 | CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
CHEMBL1275630 | 18515 | 0 | None | -61 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 5 | 1 | 6 | 4.1 | CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
CHEMBL4748908 | 214012 | 1 | None | -3 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1 | 10.6019/CHEMBL4800732 | ||||
49783415 | 17646 | 0 | None | -3890 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
CHEMBL1258452 | 17646 | 0 | None | -3890 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
136118647 | 76291 | 0 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.2 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3ccccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058702 | 76291 | 0 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.2 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3ccccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
1530 | 2169 | 50 | None | -19 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3827 | 2169 | 50 | None | -19 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
7206 | 2169 | 50 | None | -19 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL534 | 2169 | 50 | None | -19 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
DB00920 | 2169 | 50 | None | -19 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
122178707 | 121347 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1cc2c(cc1OCC1CC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581252 | 121347 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1cc2c(cc1OCC1CC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
11233293 | 84133 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 310 | 1 | 1 | 2 | 2.9 | CC1(c2cc3c(c(C(F)(F)F)c2)C(=O)N2CCNC[C@@H]32)CC1 | 10.1021/jm0612968 | ||
CHEMBL220833 | 84133 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 310 | 1 | 1 | 2 | 2.9 | CC1(c2cc3c(c(C(F)(F)F)c2)C(=O)N2CCNC[C@@H]32)CC1 | 10.1021/jm0612968 | ||
16115267 | 84764 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
CHEMBL223272 | 84764 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
71461049 | 82946 | 0 | None | -1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 364 | 6 | 0 | 4 | 4.9 | CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
CHEMBL2181187 | 82946 | 0 | None | -1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 364 | 6 | 0 | 4 | 4.9 | CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
56665074 | 65634 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834253 | 65634 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL4748908 | 214012 | 1 | None | -3 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1 | 10.6019/CHEMBL4800732 | ||||
155534799 | 176488 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 416 | 7 | 1 | 6 | 2.7 | O=c1c2cc(Cl)ccc2oc2ccc(CN3CCN(CCOCCO)CC3)cc12 | 10.1016/j.bmcl.2019.126679 | ||
CHEMBL4471059 | 176488 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 416 | 7 | 1 | 6 | 2.7 | O=c1c2cc(Cl)ccc2oc2ccc(CN3CCN(CCOCCO)CC3)cc12 | 10.1016/j.bmcl.2019.126679 | ||
CHEMBL4596904 | 176488 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 416 | 7 | 1 | 6 | 2.7 | O=c1c2cc(Cl)ccc2oc2ccc(CN3CCN(CCOCCO)CC3)cc12 | 10.1016/j.bmcl.2019.126679 | ||
155535203 | 172017 | 0 | None | -7 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 403 | 5 | 3 | 7 | 2.8 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4471712 | 172017 | 0 | None | -7 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 403 | 5 | 3 | 7 | 2.8 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | ||
5353853 | 17954 | 47 | None | -23 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
9556529 | 17954 | 47 | None | -23 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1262 | 17954 | 47 | None | -23 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
44409327 | 76603 | 0 | None | -128 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 3 | 1 | 4 | 1.9 | CCO[C@@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL206394 | 76603 | 0 | None | -128 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 3 | 1 | 4 | 1.9 | CCO[C@@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
155531067 | 171595 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
CHEMBL4465512 | 171595 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
71459604 | 83764 | 0 | None | -5 | 14 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205811 | 83764 | 0 | None | -5 | 14 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
122187378 | 123000 | 0 | None | 8 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 455 | 5 | 0 | 5 | 5.6 | COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3609143 | 123000 | 0 | None | 8 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 455 | 5 | 0 | 5 | 5.6 | COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
44455426 | 155125 | 0 | None | -4 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL402143 | 155125 | 0 | None | -4 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
11288612 | 182587 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 267 | 2 | 1 | 3 | 3.0 | c1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4788327 | 182587 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 267 | 2 | 1 | 3 | 3.0 | c1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
145981805 | 166686 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 3 | 0 | 2 | 4.6 | CN(C)CC/C=C1\c2ccc(Cl)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4282729 | 166686 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 3 | 0 | 2 | 4.6 | CN(C)CC/C=C1\c2ccc(Cl)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
127048334 | 140575 | 1 | None | 13 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3813796 | 140575 | 1 | None | 13 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
135398737 | 955 | 93 | None | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
38 | 955 | 93 | None | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
722 | 955 | 93 | None | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
CHEMBL42 | 955 | 93 | None | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
DB00363 | 955 | 93 | None | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
29943048 | 67633 | 0 | None | -10 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL190699 | 67633 | 0 | None | -10 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
29943048 | 67633 | 0 | None | -10 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL190699 | 67633 | 0 | None | -10 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
1588 | 2311 | 27 | None | -6 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
28864 | 2311 | 27 | None | -6 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
43 | 2311 | 27 | None | -6 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
CHEMBL157138 | 2311 | 27 | None | -6 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
DB00589 | 2311 | 27 | None | -6 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
11637931 | 120557 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 2 | 2 | 2 | 2.0 | COC1(C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343665 | 120557 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 2 | 2 | 2 | 2.0 | COC1(C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545814 | 120557 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 2 | 2 | 2 | 2.0 | COC1(C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
145993540 | 167310 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 503 | 12 | 3 | 11 | 2.2 | NCCCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 | 10.1039/C7MD00247E | ||
CHEMBL4294350 | 167310 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 503 | 12 | 3 | 11 | 2.2 | NCCCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 | 10.1039/C7MD00247E | ||
127048335 | 140567 | 1 | None | 15 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3813726 | 140567 | 1 | None | 15 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
11502243 | 189482 | 48 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmc.2019.02.044 | ||
CHEMBL513994 | 189482 | 48 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmc.2019.02.044 | ||
146709966 | 175755 | 0 | None | 338 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4583909 | 175755 | 0 | None | 338 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
72734865 | 106288 | 0 | None | 39 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Nc1ccccc1O2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092756 | 106288 | 0 | None | 39 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Nc1ccccc1O2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3139103 | 106288 | 0 | None | 39 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Nc1ccccc1O2 | 10.1016/j.bmc.2013.10.010 | ||
135509961 | 136107 | 2 | None | -3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21 | 10.1021/jm050663x | ||
CHEMBL373245 | 136107 | 2 | None | -3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21 | 10.1021/jm050663x | ||
10623020 | 32370 | 0 | None | -12 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cnccc3C)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14111 | 32370 | 0 | None | -12 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cnccc3C)c1)CC2 | 10.1021/jm990388c | ||
18475630 | 101869 | 0 | None | 19 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 330 | 2 | 2 | 3 | 4.7 | Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C | 10.1016/s0960-894x(01)00343-2 | ||
CHEMBL300835 | 101869 | 0 | None | 19 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 330 | 2 | 2 | 3 | 4.7 | Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C | 10.1016/s0960-894x(01)00343-2 | ||
10690185 | 161730 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 365 | 3 | 1 | 3 | 4.5 | CC(C)Oc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
CHEMBL41389 | 161730 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 365 | 3 | 1 | 3 | 4.5 | CC(C)Oc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
1621 | 2413 | 17 | None | -19 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
17 | 2413 | 17 | None | -19 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
5761 | 2413 | 17 | None | -19 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
CHEMBL263881 | 2413 | 17 | None | -19 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
DB04829 | 2413 | 17 | None | -19 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
2600 | 3750 | 74 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
2608 | 3750 | 74 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
5405 | 3750 | 74 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
CHEMBL17157 | 3750 | 74 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
DB00342 | 3750 | 74 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
118729264 | 120673 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402675 | 120673 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547136 | 120673 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
118729248 | 120677 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402664 | 120677 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547150 | 120677 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
16062788 | 97445 | 0 | None | -50 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL270188 | 97445 | 0 | None | -50 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
16062781 | 155155 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 311 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL402357 | 155155 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 311 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
127036932 | 137323 | 0 | None | 1 | 22 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL3752900 | 137323 | 0 | None | 1 | 22 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
44581973 | 175577 | 0 | None | -14 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
CHEMBL458002 | 175577 | 0 | None | -14 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
73346042 | 91805 | 5 | None | -3019 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
CHEMBL2413153 | 91805 | 5 | None | -3019 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
44451429 | 155743 | 3 | None | -21 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 226 | 1 | 1 | 3 | 1.9 | O=[N+]([O-])c1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL405829 | 155743 | 3 | None | -21 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 226 | 1 | 1 | 3 | 1.9 | O=[N+]([O-])c1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
89901929 | 120678 | 0 | None | -38 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402665 | 120678 | 0 | None | -38 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547151 | 120678 | 0 | None | -38 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
89901938 | 120687 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402684 | 120687 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547177 | 120687 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
145978113 | 163813 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 207 | 2 | 1 | 3 | 1.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4206418 | 163813 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 207 | 2 | 1 | 3 | 1.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
11312820 | 136309 | 1 | None | -8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
CHEMBL373402 | 136309 | 1 | None | -8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
46914621 | 15389 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
CHEMBL1214895 | 15389 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
122187375 | 122997 | 0 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 5.6 | CCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3609140 | 122997 | 0 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 5.6 | CCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
4211 | 57792 | 83 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
CHEMBL1670 | 57792 | 83 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
11737032 | 84987 | 0 | None | -10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 1.4 | O=C1c2c(Cl)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL223896 | 84987 | 0 | None | -10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 1.4 | O=C1c2c(Cl)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
44316017 | 205429 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 228 | 2 | 1 | 2 | 2.2 | C[C@H](N)CN1CCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL80366 | 205429 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 228 | 2 | 1 | 2 | 2.2 | C[C@H](N)CN1CCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
6761 | 67770 | 19 | None | -7 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
CHEMBL1909072 | 67770 | 19 | None | -7 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
59752584 | 181471 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 4.1 | CC(C)n1nc2c(c1-c1ccc(Cl)c(Cl)c1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4764808 | 181471 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 4.1 | CC(C)n1nc2c(c1-c1ccc(Cl)c(Cl)c1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
118717213 | 120553 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 4 | 3 | 2 | 2.5 | CCCCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343664 | 120553 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 4 | 3 | 2 | 2.5 | CCCCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545802 | 120553 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 4 | 3 | 2 | 2.5 | CCCCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
10244831 | 194864 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 4.6 | CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
CHEMBL54062 | 194864 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 4.6 | CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
9888804 | 194968 | 4 | None | -63 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL54719 | 194968 | 4 | None | -63 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/j.bmcl.2005.08.004 | ||
10811153 | 169095 | 0 | None | -7 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 5.1 | CSc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
CHEMBL44015 | 169095 | 0 | None | -7 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 5.1 | CSc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
44298173 | 195470 | 0 | None | -31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL55331 | 195470 | 0 | None | -31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
44298236 | 195939 | 0 | None | -19 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.4 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(C)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL55964 | 195939 | 0 | None | -19 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.4 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(C)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
10435572 | 150076 | 0 | None | -12 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4cccc(F)c4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL395098 | 150076 | 0 | None | -12 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4cccc(F)c4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
50878551 | 90716 | 61 | None | -1 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL2391541 | 90716 | 61 | None | -1 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
9888804 | 194968 | 4 | None | -63 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL54719 | 194968 | 4 | None | -63 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
11121216 | 30108 | 0 | None | -154 | 14 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
CHEMBL138989 | 30108 | 0 | None | -154 | 14 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
3845148 | 65632 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 5 | 0 | 3 | 3.8 | c1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834251 | 65632 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 5 | 0 | 3 | 3.8 | c1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
16063181 | 155409 | 0 | None | -34 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 319 | 3 | 1 | 3 | 3.5 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL403764 | 155409 | 0 | None | -34 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 319 | 3 | 1 | 3 | 3.5 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
142601337 | 185946 | 0 | None | -97 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.0 | Fc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4869695 | 185946 | 0 | None | -97 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.0 | Fc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
145990659 | 166901 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 273 | 1 | 4 | 6 | 1.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(O)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4286819 | 166901 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 273 | 1 | 4 | 6 | 1.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(O)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
9906447 | 195554 | 2 | None | -4365 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
CHEMBL2031738 | 195554 | 2 | None | -4365 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
CHEMBL555146 | 195554 | 2 | None | -4365 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
9909089 | 186944 | 0 | None | -2511 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.2 | Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1 | 10.1016/j.bmcl.2008.08.110 | ||
CHEMBL490417 | 186944 | 0 | None | -2511 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.2 | Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1 | 10.1016/j.bmcl.2008.08.110 | ||
10217207 | 72083 | 0 | None | -398 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 463 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL197807 | 72083 | 0 | None | -398 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 463 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
10288601 | 72155 | 0 | None | -100 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 465 | 7 | 0 | 5 | 4.2 | COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL198007 | 72155 | 0 | None | -100 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 465 | 7 | 0 | 5 | 4.2 | COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
50898777 | 56410 | 0 | None | -2951 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | ||
CHEMBL1632158 | 56410 | 0 | None | -2951 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | ||
44414105 | 138160 | 0 | None | -79 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 7 | 0 | 4 | 5.9 | COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL376962 | 138160 | 0 | None | -79 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 7 | 0 | 4 | 5.9 | COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
19356259 | 102002 | 0 | None | -158 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL301784 | 102002 | 0 | None | -158 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
44298192 | 168126 | 0 | None | -100 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 472 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL433060 | 168126 | 0 | None | -100 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 472 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
187 | 3363 | 18 | None | -288 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 10.1016/S0960-894X(96)00503-3 | ||
3693566 | 3363 | 18 | None | -288 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL88402 | 3363 | 18 | None | -288 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 10.1016/S0960-894X(96)00503-3 | ||
11766873 | 206719 | 0 | None | -31 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 2.8 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL89967 | 206719 | 0 | None | -31 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 2.8 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
18931123 | 207206 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 601 | 12 | 4 | 9 | 2.5 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL92809 | 207206 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 601 | 12 | 4 | 9 | 2.5 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
153287567 | 172360 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 4.3 | Cc1ccc(N2C[C@@]3(C)NCC[C@H]3c3cc(C)ccc32)cc1 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4476396 | 172360 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 4.3 | Cc1ccc(N2C[C@@]3(C)NCC[C@H]3c3cc(C)ccc32)cc1 | 10.1021/acsmedchemlett.9b00225 | ||
153287557 | 176055 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 420 | 1 | 1 | 2 | 5.2 | C[C@@]12CN(c3ccc(Br)cc3)c3ccc(Br)cc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4591108 | 176055 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 420 | 1 | 1 | 2 | 5.2 | C[C@@]12CN(c3ccc(Br)cc3)c3ccc(Br)cc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
11463745 | 151764 | 0 | None | -79 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 6 | 0 | 4 | 4.4 | COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL396505 | 151764 | 0 | None | -79 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 6 | 0 | 4 | 4.4 | COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.029 | ||
11750162 | 151789 | 0 | None | -100 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 6 | 0 | 4 | 4.6 | COc1ccc(N2Cc3cc(C)cc(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL396527 | 151789 | 0 | None | -100 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 6 | 0 | 4 | 4.6 | COc1ccc(N2Cc3cc(C)cc(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
179 | 399 | 115 | None | -17 | 51 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1021/jm070516u | ||
2159 | 399 | 115 | None | -17 | 51 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1021/jm070516u | ||
963 | 399 | 115 | None | -17 | 51 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1021/jm070516u | ||
CHEMBL243712 | 399 | 115 | None | -17 | 51 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1021/jm070516u | ||
DB06288 | 399 | 115 | None | -17 | 51 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1021/jm070516u | ||
10440 | 2662 | 20 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
139030523 | 2662 | 20 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
CHEMBL4449712 | 2662 | 20 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
155531067 | 171595 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
CHEMBL4465512 | 171595 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
155558626 | 174737 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
CHEMBL4561016 | 174737 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
44243470 | 89069 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 5.5 | CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 | 10.1016/j.bmcl.2013.01.009 | ||
CHEMBL2334981 | 89069 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 5.5 | CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 | 10.1016/j.bmcl.2013.01.009 | ||
CHEMBL2365395 | 89069 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 5.5 | CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 | 10.1016/j.bmcl.2013.01.009 | ||
18931217 | 206767 | 0 | None | -39 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 623 | 12 | 4 | 10 | 1.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL90267 | 206767 | 0 | None | -39 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 623 | 12 | 4 | 10 | 1.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
44439167 | 90528 | 0 | None | -316 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
CHEMBL238732 | 90528 | 0 | None | -316 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
71062790 | 160029 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 353 | 6 | 0 | 5 | 2.5 | Cc1ncccc1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1 | nan | ||
CHEMBL4108274 | 160029 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 353 | 6 | 0 | 5 | 2.5 | Cc1ncccc1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1 | nan | ||
44420683 | 84104 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 284 | 0 | 1 | 2 | 2.6 | CC1(C)CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
CHEMBL220789 | 84104 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 284 | 0 | 1 | 2 | 2.6 | CC1(C)CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
1355 | 1998 | 88 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2003.05.001 | ||
142 | 1998 | 88 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL478 | 1998 | 88 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2003.05.001 | ||
DB12110 | 1998 | 88 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2003.05.001 | ||
11151653 | 91072 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397896 | 91072 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
1355 | 1998 | 88 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2005.10.029 | ||
142 | 1998 | 88 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL478 | 1998 | 88 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2005.10.029 | ||
DB12110 | 1998 | 88 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL5084249 | 214882 | 0 | None | -38 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CCN(CC)CCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
1704 | 3496 | 85 | None | -10 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 3 | 2 | 3 | 4.5 | O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C | 10.1016/j.bmcl.2013.06.057 | ||
4331799 | 3496 | 85 | None | -10 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 3 | 2 | 3 | 4.5 | O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C | 10.1016/j.bmcl.2013.06.057 | ||
CHEMBL1334465 | 3496 | 85 | None | -10 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 3 | 2 | 3 | 4.5 | O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C | 10.1016/j.bmcl.2013.06.057 | ||
118055337 | 177347 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 220 | 0 | 1 | 2 | 2.0 | CC1(C)CN2CCNCc3ccc(F)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4637882 | 177347 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 220 | 0 | 1 | 2 | 2.0 | CC1(C)CN2CCNCc3ccc(F)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
44582675 | 189677 | 0 | None | -5 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL515472 | 189677 | 0 | None | -5 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
3336 | 94972 | 30 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1021/jm100600y | ||
CHEMBL1405922 | 94972 | 30 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1021/jm100600y | ||
CHEMBL254832 | 94972 | 30 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1021/jm100600y | ||
16573 | 177595 | 34 | None | -16 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 1 | 5 | 3.2 | COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/np500893h | ||
CHEMBL464099 | 177595 | 34 | None | -16 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 1 | 5 | 3.2 | COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/np500893h | ||
168273532 | 190161 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 450 | 3 | 2 | 3 | 7.8 | Clc1ccc(Nc2nc3ccccc3c3[nH]c([C@@H]4C[C@@H]5CCC[C@@H](C5)C4)nc23)cc1Cl | 10.1021/acs.jmedchem.2c01170 | ||
CHEMBL5174205 | 190161 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 450 | 3 | 2 | 3 | 7.8 | Clc1ccc(Nc2nc3ccccc3c3[nH]c([C@@H]4C[C@@H]5CCC[C@@H](C5)C4)nc23)cc1Cl | 10.1021/acs.jmedchem.2c01170 | ||
23290944 | 81797 | 0 | None | -213 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 392 | 6 | 0 | 4 | 3.8 | O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
CHEMBL2164350 | 81797 | 0 | None | -213 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 392 | 6 | 0 | 4 | 3.8 | O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
6075 | 150084 | 42 | None | -8 | 16 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
CHEMBL395110 | 150084 | 42 | None | -8 | 16 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
44247568 | 82145 | 55 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 5 | 0 | 5 | 3.0 | Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 | 10.1021/jm3007323 | ||
CHEMBL2170062 | 82145 | 55 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 5 | 0 | 5 | 3.0 | Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 | 10.1021/jm3007323 | ||
16118923 | 60116 | 0 | None | -30 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 434 | 4 | 3 | 5 | 3.5 | O=C(Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1642866 | 60116 | 0 | None | -30 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 434 | 4 | 3 | 5 | 3.5 | O=C(Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1739656 | 60116 | 0 | None | -30 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 434 | 4 | 3 | 5 | 3.5 | O=C(Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 | 10.1016/j.bmc.2010.10.033 | ||
11695000 | 89042 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337490 | 89042 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365083 | 89042 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
122178706 | 121346 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 8 | 0 | 5 | 5.4 | CCCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581251 | 121346 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 8 | 0 | 5 | 5.4 | CCCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
3038495 | 705 | 37 | None | -22 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm100600y | ||
7625 | 705 | 37 | None | -22 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm100600y | ||
CHEMBL25236 | 705 | 37 | None | -22 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm100600y | ||
11948707 | 166143 | 0 | None | -83 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | ||
CHEMBL426317 | 166143 | 0 | None | -83 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | ||
5624 | 32663 | 14 | None | 5 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
CHEMBL1203324 | 32663 | 14 | None | 5 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
CHEMBL141343 | 32663 | 14 | None | 5 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
56675413 | 65640 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834259 | 65640 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
134143302 | 145291 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 503 | 9 | 5 | 9 | 0.6 | CC(=O)NCCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3913293 | 145291 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 503 | 9 | 5 | 9 | 0.6 | CC(=O)NCCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
90181065 | 160788 | 0 | None | 5 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 5 | 0 | 4 | 3.4 | CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1 | nan | ||
CHEMBL4114519 | 160788 | 0 | None | 5 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 5 | 0 | 4 | 3.4 | CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1 | nan | ||
155566272 | 175764 | 0 | None | 4 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 543 | 8 | 3 | 8 | 5.1 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CSc2ccccc2F)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4584140 | 175764 | 0 | None | 4 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 543 | 8 | 3 | 8 | 5.1 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CSc2ccccc2F)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL5089613 | 215193 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | C=C[C@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||||
16115654 | 136949 | 0 | None | -38 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.1 | Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL374562 | 136949 | 0 | None | -38 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.1 | Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
44451373 | 96306 | 1 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 187 | 0 | 1 | 2 | 2.1 | c1cc2ccc3c(c2o1)CCNCC3 | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL261490 | 96306 | 1 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 187 | 0 | 1 | 2 | 2.1 | c1cc2ccc3c(c2o1)CCNCC3 | 10.1016/j.bmc.2007.12.009 | ||
50878551 | 90716 | 61 | None | -1 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL2391541 | 90716 | 61 | None | -1 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
118706296 | 120499 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 2 | 3 | 2 | 1.3 | CC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310119 | 120499 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 2 | 3 | 2 | 1.3 | CC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545441 | 120499 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 2 | 3 | 2 | 1.3 | CC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
134143536 | 145492 | 0 | None | 8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.7 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3914843 | 145492 | 0 | None | 8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.7 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
71459269 | 82931 | 0 | None | -1479 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 555 | 7 | 0 | 4 | 6.3 | Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12 | 10.1021/jm300943r | ||
CHEMBL2181166 | 82931 | 0 | None | -1479 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 555 | 7 | 0 | 4 | 6.3 | Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12 | 10.1021/jm300943r | ||
58911532 | 91075 | 0 | None | -4 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 1.6 | CCCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397899 | 91075 | 0 | None | -4 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 1.6 | CCCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
11176570 | 91091 | 1 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2cc(C(F)(F)F)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397915 | 91091 | 1 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2cc(C(F)(F)F)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
56661666 | 65641 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834260 | 65641 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
11150514 | 84848 | 0 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@H]2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL223584 | 84848 | 0 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@H]2CNCCN12 | 10.1021/jm0612968 | ||
16071847 | 60115 | 0 | None | -229 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 5 | 3 | 5 | 2.8 | NCCC(=O)Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1642865 | 60115 | 0 | None | -229 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 5 | 3 | 5 | 2.8 | NCCC(=O)Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1739655 | 60115 | 0 | None | -229 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 5 | 3 | 5 | 2.8 | NCCC(=O)Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 | 10.1016/j.bmc.2010.10.033 | ||
11195293 | 91059 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@]12CNCCN1C(=O)c1ccccc1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397883 | 91059 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@]12CNCCN1C(=O)c1ccccc1C2 | 10.1016/j.bmcl.2013.04.061 | ||
90181070 | 160513 | 0 | None | 1 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ccnc(OC[C@H]2CN(CC(=O)N3c4ccccc4CC3C)CCO2)c1 | nan | ||
CHEMBL4112412 | 160513 | 0 | None | 1 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ccnc(OC[C@H]2CN(CC(=O)N3c4ccccc4CC3C)CCO2)c1 | nan | ||
136118621 | 76224 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3c(Br)cccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058420 | 76224 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3c(Br)cccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
4943 | 193393 | 105 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | nan | ||
CHEMBL526 | 193393 | 105 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | nan | ||
135399666 | 168739 | 7 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL437314 | 168739 | 7 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
46884034 | 7897 | 0 | None | -870 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 347 | 3 | 2 | 2 | 3.3 | O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCNCC1 | 10.1016/j.bmcl.2010.01.107 | ||
CHEMBL1090397 | 7897 | 0 | None | -870 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 347 | 3 | 2 | 2 | 3.3 | O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCNCC1 | 10.1016/j.bmcl.2010.01.107 | ||
118055294 | 177450 | 0 | None | -24 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.2 | COc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4639115 | 177450 | 0 | None | -24 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.2 | COc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
56682068 | 65642 | 0 | None | 16 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834261 | 65642 | 0 | None | 16 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
4189 | 206899 | 96 | None | -26 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1559 | 206899 | 96 | None | -26 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL91 | 206899 | 96 | None | -26 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
136118651 | 76295 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058706 | 76295 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
127052458 | 140715 | 0 | None | -35 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 5 | 1 | 3 | 3.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818056 | 140715 | 0 | None | -35 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 5 | 1 | 3 | 3.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1 | 10.1016/j.bmc.2016.05.053 | ||
9881119 | 205450 | 0 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 232 | 2 | 1 | 3 | 1.7 | C[C@H](N)CN1CCc2ccc3c(c21)CCCO3 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL80482 | 205450 | 0 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 232 | 2 | 1 | 3 | 1.7 | C[C@H](N)CN1CCc2ccc3c(c21)CCCO3 | 10.1016/j.bmcl.2003.05.001 | ||
117209864 | 186010 | 1 | None | -1 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4870675 | 186010 | 1 | None | -1 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
127052458 | 140715 | 0 | None | -35 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 5 | 1 | 3 | 3.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818056 | 140715 | 0 | None | -35 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 5 | 1 | 3 | 3.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1 | 10.1016/j.bmc.2016.05.053 | ||
168284710 | 191569 | 0 | None | -17 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccc(Br)cc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5195241 | 191569 | 0 | None | -17 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccc(Br)cc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
135398745 | 2893 | 112 | None | -5 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
47 | 2893 | 112 | None | -5 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
CHEMBL715 | 2893 | 112 | None | -5 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
DB00334 | 2893 | 112 | None | -5 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
127035066 | 136396 | 0 | None | 7 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 14 | 0 | 7 | 5.2 | COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
CHEMBL3735434 | 136396 | 0 | None | 7 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 14 | 0 | 7 | 5.2 | COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
156021327 | 178109 | 0 | None | -33 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 224 | 0 | 1 | 3 | 1.6 | Clc1ccc2c3c1OCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4648457 | 178109 | 0 | None | -33 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 224 | 0 | 1 | 3 | 1.6 | Clc1ccc2c3c1OCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
132075278 | 162620 | 0 | None | -6 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 308 | 3 | 0 | 3 | 3.1 | c1ccc(CN2CCc3cc(N4CCOCC4)ccc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4169752 | 162620 | 0 | None | -6 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 308 | 3 | 0 | 3 | 3.1 | c1ccc(CN2CCc3cc(N4CCOCC4)ccc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
2683 | 102861 | 25 | None | -501 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL305906 | 102861 | 25 | None | -501 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL334255 | 102861 | 25 | None | -501 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
3598 | 187797 | 76 | None | -2 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
CHEMBL496 | 187797 | 76 | None | -2 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
136118635 | 76283 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2cccc(Br)c12 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058694 | 76283 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2cccc(Br)c12 | 10.1016/j.bmc.2013.09.011 | ||
16115148 | 84810 | 0 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 0 | 1 | 2 | 0.9 | O=C1c2c(F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL223469 | 84810 | 0 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 0 | 1 | 2 | 0.9 | O=C1c2c(F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
156014235 | 177154 | 0 | None | -20 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 240 | 0 | 1 | 3 | 2.4 | Clc1ccc2c3c1SCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4634836 | 177154 | 0 | None | -20 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 240 | 0 | 1 | 3 | 2.4 | Clc1ccc2c3c1SCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
53324045 | 57041 | 0 | None | -9 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL1644980 | 57041 | 0 | None | -9 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
11253485 | 141953 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 204 | 0 | 2 | 3 | 0.5 | O=C1c2c(O)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL387344 | 141953 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 204 | 0 | 2 | 3 | 0.5 | O=C1c2c(O)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
44409101 | 141225 | 0 | None | -23 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 233 | 2 | 1 | 4 | 1.0 | COCc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL383051 | 141225 | 0 | None | -23 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 233 | 2 | 1 | 4 | 1.0 | COCc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
18735305 | 204910 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2cc(F)c(I)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL76301 | 204910 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2cc(F)c(I)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
44404883 | 72033 | 32 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.0 | CN(C)CCc1cn(C)c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL197664 | 72033 | 32 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.0 | CN(C)CCc1cn(C)c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
44364215 | 39598 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 202 | 2 | 2 | 2 | 2.0 | COc1ccc2[nH]cc(C3CC3N)c2c1 | 10.1021/jm980318q | ||
CHEMBL147434 | 39598 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 202 | 2 | 2 | 2 | 2.0 | COc1ccc2[nH]cc(C3CC3N)c2c1 | 10.1021/jm980318q | ||
118464425 | 138284 | 0 | None | 3 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 357 | 3 | 2 | 7 | 2.8 | CCOC(=O)c1cccc(NC2=NC(N(C)C)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770981 | 138284 | 0 | None | 3 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 357 | 3 | 2 | 7 | 2.8 | CCOC(=O)c1cccc(NC2=NC(N(C)C)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
145976085 | 163641 | 0 | None | 2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4204576 | 163641 | 0 | None | 2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
44407453 | 74374 | 0 | None | -9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 5.0 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL202538 | 74374 | 0 | None | -9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 5.0 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl | 10.1016/j.bmcl.2005.10.029 | ||
11163458 | 136543 | 0 | None | -7 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 298 | 2 | 1 | 2 | 2.8 | CCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL373905 | 136543 | 0 | None | -7 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 298 | 2 | 1 | 2 | 2.8 | CCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
49865831 | 16129 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 296 | 2 | 1 | 3 | 3.0 | CCCNC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224033 | 16129 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 296 | 2 | 1 | 3 | 3.0 | CCCNC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
132060720 | 162465 | 0 | None | 2 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4167315 | 162465 | 0 | None | 2 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
11206703 | 91063 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397887 | 91063 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
10528314 | 171857 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(C)(C)C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL446942 | 171857 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(C)(C)C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
240 | 941 | 43 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
2769 | 941 | 43 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
44279790 | 941 | 43 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
660 | 941 | 43 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
CHEMBL1729 | 941 | 43 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
CHEMBL560739 | 941 | 43 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
DB00604 | 941 | 43 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
18005120 | 194945 | 0 | None | -100 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 460 | 4 | 1 | 5 | 5.9 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL54560 | 194945 | 0 | None | -100 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 460 | 4 | 1 | 5 | 5.9 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
44298086 | 195196 | 0 | None | -39 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL55079 | 195196 | 0 | None | -39 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
44298234 | 196712 | 0 | None | -25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 6.2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL56508 | 196712 | 0 | None | -25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 6.2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
10255548 | 86734 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 5.1 | COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL232046 | 86734 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 5.1 | COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
2726 | 916 | 68 | None | -19 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
621 | 916 | 68 | None | -19 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
83 | 916 | 68 | None | -19 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
CHEMBL71 | 916 | 68 | None | -19 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
DB00477 | 916 | 68 | None | -19 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
25235287 | 177692 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 302 | 0 | 1 | 2 | 4.5 | Cc1nccc2c1C(C)(C)Nc1cc(Br)ccc1-2 | 10.1021/acs.jnatprod.9b01107 | ||
CHEMBL4642292 | 177692 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 302 | 0 | 1 | 2 | 4.5 | Cc1nccc2c1C(C)(C)Nc1cc(Br)ccc1-2 | 10.1021/acs.jnatprod.9b01107 | ||
136188797 | 57292 | 1 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL1651094 | 57292 | 1 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/acs.jnatprod.7b00317 | ||
136030744 | 57291 | 1 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/np100588c | ||
CHEMBL1651093 | 57291 | 1 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/np100588c | ||
11288140 | 84740 | 0 | None | -12 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 213 | 0 | 1 | 3 | 0.7 | N#Cc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
CHEMBL223090 | 84740 | 0 | None | -12 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 213 | 0 | 1 | 3 | 0.7 | N#Cc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
46830177 | 8029 | 30 | None | -4365 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 378 | 6 | 2 | 4 | 3.6 | COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
CHEMBL1091105 | 8029 | 30 | None | -4365 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 378 | 6 | 2 | 4 | 3.6 | COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
118055319 | 177502 | 0 | None | -20 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 1 | 1 | 2 | 2.6 | FC(F)(F)CC1CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4639970 | 177502 | 0 | None | -20 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 1 | 1 | 2 | 2.6 | FC(F)(F)CC1CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
10050022 | 166332 | 0 | None | -39 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 5.4 | COc1ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL427398 | 166332 | 0 | None | -39 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 5.4 | COc1ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
49850870 | 56359 | 0 | None | -3162 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 424 | 6 | 1 | 5 | 3.3 | Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
CHEMBL1631535 | 56359 | 0 | None | -3162 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 424 | 6 | 1 | 5 | 3.3 | Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
49850570 | 56442 | 0 | None | -2511 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 6 | 2 | 4 | 4.0 | CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
CHEMBL1632220 | 56442 | 0 | None | -2511 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 6 | 2 | 4 | 4.0 | CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
44298140 | 100531 | 0 | None | -79 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL291510 | 100531 | 0 | None | -79 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
18931172 | 106147 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1Cl | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL313745 | 106147 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1Cl | 10.1016/S0960-894X(96)00503-3 | ||
18931163 | 206752 | 0 | None | -50 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 569 | 11 | 3 | 9 | 2.4 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C#N)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL90175 | 206752 | 0 | None | -50 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 569 | 11 | 3 | 9 | 2.4 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C#N)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
18931420 | 206823 | 0 | None | -251 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 628 | 12 | 3 | 9 | 3.4 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL90565 | 206823 | 0 | None | -251 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 628 | 12 | 3 | 9 | 3.4 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
127052465 | 140706 | 0 | None | -10 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 340 | 5 | 0 | 3 | 3.6 | O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3817911 | 140706 | 0 | None | -10 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 340 | 5 | 0 | 3 | 3.6 | O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1 | 10.1016/j.bmc.2016.05.053 | ||
10835585 | 101834 | 0 | None | -63 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL300618 | 101834 | 0 | None | -63 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
1836 | 2574 | 59 | None | -69 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
3340 | 2574 | 59 | None | -69 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
5281040 | 2574 | 59 | None | -69 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
CHEMBL787 | 2574 | 59 | None | -69 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
DB00471 | 2574 | 59 | None | -69 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
10597140 | 63015 | 0 | None | -251 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 5 | 0 | 3 | 4.5 | CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
CHEMBL1788231 | 63015 | 0 | None | -251 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 5 | 0 | 3 | 4.5 | CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
1703 | 3493 | 97 | None | -158 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 2 | 2 | 5 | 3.7 | O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C | 10.1016/s0960-894x(01)00343-2 | ||
6604926 | 3493 | 97 | None | -158 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 2 | 2 | 5 | 3.7 | O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C | 10.1016/s0960-894x(01)00343-2 | ||
CHEMBL291536 | 3493 | 97 | None | -158 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 2 | 2 | 5 | 3.7 | O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C | 10.1016/s0960-894x(01)00343-2 | ||
44343212 | 9806 | 0 | None | -100 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 5 | 0 | 3 | 4.5 | CC1CCN(CCC2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
CHEMBL114012 | 9806 | 0 | None | -100 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 5 | 0 | 3 | 4.5 | CC1CCN(CCC2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
49865890 | 16150 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 310 | 1 | 1 | 3 | 3.5 | Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224106 | 16150 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 310 | 1 | 1 | 3 | 3.5 | Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
57799324 | 89063 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1ccc2c(c1Cl)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337501 | 89063 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1ccc2c(c1Cl)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365359 | 89063 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1ccc2c(c1Cl)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
11312173 | 182087 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 3.1 | Fc1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4782005 | 182087 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 3.1 | Fc1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
127034715 | 136369 | 0 | None | 35 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 537 | 15 | 0 | 8 | 5.2 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735261 | 136369 | 0 | None | 35 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 537 | 15 | 0 | 8 | 5.2 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
107715 | 200922 | 22 | None | -14 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
CHEMBL1255837 | 200922 | 22 | None | -14 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
CHEMBL601773 | 200922 | 22 | None | -14 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
189 | 3466 | 39 | None | -5 | 17 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm100600y | ||
5163 | 3466 | 39 | None | -5 | 17 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm100600y | ||
CHEMBL297784 | 3466 | 39 | None | -5 | 17 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm100600y | ||
11694810 | 120513 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310123 | 120513 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545474 | 120513 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
11694810 | 120513 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3310123 | 120513 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545474 | 120513 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
10531 | 1408 | 21 | None | -15 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
121 | 1408 | 21 | None | -15 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
888 | 1408 | 21 | None | -15 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
CHEMBL1732 | 1408 | 21 | None | -15 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
DB00320 | 1408 | 21 | None | -15 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
118706301 | 120512 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 265 | 1 | 2 | 1 | 2.2 | CC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310122 | 120512 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 265 | 1 | 2 | 1 | 2.2 | CC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545473 | 120512 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 265 | 1 | 2 | 1 | 2.2 | CC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
168293874 | 192155 | 0 | None | 5 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5204071 | 192155 | 0 | None | 5 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
145988313 | 167211 | 0 | None | 104 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
CHEMBL4292326 | 167211 | 0 | None | 104 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
168268877 | 189946 | 0 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5170784 | 189946 | 0 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
127035064 | 136446 | 0 | None | 23 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
CHEMBL3735911 | 136446 | 0 | None | 23 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
135 | 2515 | 43 | None | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
1796 | 2515 | 43 | None | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
4184 | 2515 | 43 | None | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
CHEMBL6437 | 2515 | 43 | None | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
DB06148 | 2515 | 43 | None | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
11681111 | 120558 | 0 | None | -7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 309 | 3 | 2 | 2 | 2.4 | CCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343666 | 120558 | 0 | None | -7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 309 | 3 | 2 | 2 | 2.4 | CCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545815 | 120558 | 0 | None | -7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 309 | 3 | 2 | 2 | 2.4 | CCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
16062783 | 154998 | 0 | None | 2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 323 | 3 | 1 | 4 | 3.5 | COc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL401509 | 154998 | 0 | None | 2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 323 | 3 | 1 | 4 | 3.5 | COc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
14049689 | 198420 | 11 | None | 20 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1541 | 28 | 21 | 42 | -12.4 | CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCC(C)O)O[C@H](O[C@@H]4[C@@H](COCC(C)O)O[C@H](O[C@@H]5[C@@H](COCC(C)O)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](COCC(C)O)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O | nan | ||
CHEMBL577294 | 198420 | 11 | None | 20 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1541 | 28 | 21 | 42 | -12.4 | CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCC(C)O)O[C@H](O[C@@H]4[C@@H](COCC(C)O)O[C@H](O[C@@H]5[C@@H](COCC(C)O)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](COCC(C)O)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O | nan | ||
58911653 | 91087 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 1 | 1 | 2 | 1.5 | CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397911 | 91087 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 1 | 1 | 2 | 1.5 | CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
57799306 | 89080 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337493 | 89080 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365469 | 89080 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
9899500 | 67860 | 0 | None | -14 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL191054 | 67860 | 0 | None | -14 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.11.083 | ||
168281367 | 190877 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1cc2c(cc1OC)-c1c(OC)c(OCC3CC3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5185086 | 190877 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1cc2c(cc1OC)-c1c(OC)c(OCC3CC3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
118729232 | 120649 | 0 | None | 9 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402655 | 120649 | 0 | None | 9 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547008 | 120649 | 0 | None | 9 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
90188146 | 120672 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402674 | 120672 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547135 | 120672 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
16062912 | 155128 | 0 | None | -56 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 3.7 | Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL402164 | 155128 | 0 | None | -56 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 3.7 | Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
71461050 | 82948 | 0 | None | -13 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 5 | 0 | 3 | 5.0 | CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
CHEMBL2181189 | 82948 | 0 | None | -13 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 5 | 0 | 3 | 5.0 | CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
45486891 | 196917 | 0 | None | -83 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 449 | 6 | 3 | 4 | 4.1 | O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
CHEMBL566379 | 196917 | 0 | None | -83 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 449 | 6 | 3 | 4 | 4.1 | O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
145974750 | 164731 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4217810 | 164731 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
127052465 | 140706 | 0 | None | -10 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 340 | 5 | 0 | 3 | 3.6 | O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3817911 | 140706 | 0 | None | -10 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 340 | 5 | 0 | 3 | 3.6 | O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1 | 10.1016/j.bmc.2016.05.053 | ||
89901924 | 120680 | 0 | None | -100 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402667 | 120680 | 0 | None | -100 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547153 | 120680 | 0 | None | -100 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
16062651 | 95616 | 0 | None | -13 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 285 | 3 | 1 | 3 | 3.1 | CC(C)Cc1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL257944 | 95616 | 0 | None | -13 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 285 | 3 | 1 | 3 | 3.1 | CC(C)Cc1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
132007291 | 148921 | 0 | None | -33 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.3 | Fc1ccc(C#Cc2nc(NCc3cccc(Cl)c3)c3nc[nH]c3n2)cc1F | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3941980 | 148921 | 0 | None | -33 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.3 | Fc1ccc(C#Cc2nc(NCc3cccc(Cl)c3)c3nc[nH]c3n2)cc1F | 10.1021/acs.jmedchem.6b01183 | ||
1782 | 2501 | 84 | None | -3 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
241 | 2501 | 84 | None | -3 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
4168 | 2501 | 84 | None | -3 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
CHEMBL86 | 2501 | 84 | None | -3 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
DB01233 | 2501 | 84 | None | -3 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
11171955 | 91064 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.2 | C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397888 | 91064 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.2 | C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12 | 10.1016/j.bmcl.2013.04.061 | ||
16115515 | 137571 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 290 | 0 | 1 | 2 | 2.5 | O=C1c2c(C(F)(F)F)ccc(Cl)c2[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL375575 | 137571 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 290 | 0 | 1 | 2 | 2.5 | O=C1c2c(C(F)(F)F)ccc(Cl)c2[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
2775690 | 92982 | 53 | None | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.0 | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 | 10.1021/ml400312j | ||
CHEMBL2441619 | 92982 | 53 | None | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.0 | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 | 10.1021/ml400312j | ||
11848624 | 89117 | 0 | None | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | 10.1016/j.bmcl.2009.09.024 | ||
CHEMBL236587 | 89117 | 0 | None | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | 10.1016/j.bmcl.2009.09.024 | ||
46230100 | 199296 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1ccc2c(c1)N1CCNCCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590531 | 199296 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1ccc2c(c1)N1CCNCCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
118717211 | 120552 | 0 | None | -33 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 2 | 3 | 2 | 1.7 | CCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343663 | 120552 | 0 | None | -33 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 2 | 3 | 2 | 1.7 | CCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545801 | 120552 | 0 | None | -33 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 2 | 3 | 2 | 1.7 | CCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
44451422 | 167401 | 2 | None | -9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 199 | 0 | 1 | 1 | 2.2 | Fc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL429689 | 167401 | 2 | None | -9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 199 | 0 | 1 | 1 | 2.2 | Fc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
75201901 | 166401 | 19 | None | -301 | 24 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4277264 | 166401 | 19 | None | -301 | 24 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
118729238 | 120653 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402659 | 120653 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547012 | 120653 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
118729240 | 120654 | 0 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402660 | 120654 | 0 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547013 | 120654 | 0 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
46884098 | 8155 | 0 | None | -954 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 286 | 4 | 2 | 2 | 3.1 | O=C(NCc1ccc(C2CCCCC2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
CHEMBL1092029 | 8155 | 0 | None | -954 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 286 | 4 | 2 | 2 | 3.1 | O=C(NCc1ccc(C2CCCCC2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
142601329 | 186493 | 5 | None | -63 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 276 | 2 | 2 | 3 | 2.5 | Clc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4877603 | 186493 | 5 | None | -63 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 276 | 2 | 2 | 3 | 2.5 | Clc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
122187379 | 123001 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 441 | 5 | 0 | 5 | 5.3 | C=CCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3609144 | 123001 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 441 | 5 | 0 | 5 | 5.3 | C=CCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
122483223 | 138084 | 0 | None | -5 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 8 | 0 | 5 | 5.8 | COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
CHEMBL3764650 | 138084 | 0 | None | -5 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 8 | 0 | 5 | 5.8 | COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
CHEMBL3765874 | 138084 | 0 | None | -5 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 8 | 0 | 5 | 5.8 | COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
122187382 | 123003 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 429 | 4 | 0 | 5 | 5.2 | CCN1CC(c2ccccc2)c2cc(OC)c(OC)c3c2C1Cc1cc2c(cc1-3)OCO2 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3609147 | 123003 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 429 | 4 | 0 | 5 | 5.2 | CCN1CC(c2ccccc2)c2cc(OC)c(OC)c3c2C1Cc1cc2c(cc1-3)OCO2 | 10.1016/j.bmcl.2015.07.012 | ||
137646281 | 157782 | 0 | None | -95 | 17 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
CHEMBL4083252 | 157782 | 0 | None | -95 | 17 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
122178711 | 121351 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OCc1ccc(Br)cc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581256 | 121351 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OCc1ccc(Br)cc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
46933845 | 16130 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224034 | 16130 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm9803525 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm9803525 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm9803525 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm9803525 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm9803525 | ||
25117676 | 200436 | 0 | None | -831 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 420 | 4 | 1 | 5 | 3.7 | CN(C)[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
CHEMBL598444 | 200436 | 0 | None | -831 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 420 | 4 | 1 | 5 | 3.7 | CN(C)[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
53325242 | 57040 | 0 | None | -2 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL1644978 | 57040 | 0 | None | -2 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
21854226 | 124578 | 5 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 230 | 3 | 2 | 2 | 2.5 | Oc1cccc2[nH]cc(CCN3CCCC3)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL364061 | 124578 | 5 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 230 | 3 | 2 | 2 | 2.5 | Oc1cccc2[nH]cc(CCN3CCCC3)c12 | 10.1016/j.bmcl.2005.06.104 | ||
2286 | 3161 | 51 | None | -5 | 30 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
4927 | 3161 | 51 | None | -5 | 30 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
7282 | 3161 | 51 | None | -5 | 30 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL643 | 3161 | 51 | None | -5 | 30 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
DB01069 | 3161 | 51 | None | -5 | 30 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
59752589 | 179802 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 4.1 | CC(C)n1nc2c(c1-c1ccc(Cl)cc1Cl)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4745055 | 179802 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 4.1 | CC(C)n1nc2c(c1-c1ccc(Cl)cc1Cl)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
11425677 | 182311 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 269 | 1 | 1 | 3 | 3.0 | CC(C)(C)n1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4784424 | 182311 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 269 | 1 | 1 | 3 | 3.0 | CC(C)(C)n1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
145975946 | 163896 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 307 | 8 | 1 | 4 | 3.9 | CCCCCCOc1ccc(C2=N[C@@H](CO)[C@H](C)S2)cc1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4207355 | 163896 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 307 | 8 | 1 | 4 | 3.9 | CCCCCCOc1ccc(C2=N[C@@H](CO)[C@H](C)S2)cc1 | 10.1021/acs.jnatprod.7b00317 | ||
2406 | 100376 | 89 | None | -27 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
CHEMBL290106 | 100376 | 89 | None | -27 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
3198 | 205490 | 76 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 205490 | 76 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 205490 | 76 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
118055192 | 177009 | 0 | None | -46 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.7 | CC1CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4632419 | 177009 | 0 | None | -46 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.7 | CC1CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
10947658 | 28671 | 0 | None | -39 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
CHEMBL137781 | 28671 | 0 | None | -39 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
44409095 | 76001 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 219 | 1 | 1 | 4 | 0.8 | COc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL205671 | 76001 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 219 | 1 | 1 | 4 | 0.8 | COc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
71618702 | 143357 | 0 | None | 1 | 4 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 400 | 5 | 0 | 4 | 3.4 | CC1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccc(Cl)c2)C1 | nan | ||
CHEMBL3897835 | 143357 | 0 | None | 1 | 4 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 400 | 5 | 0 | 4 | 3.4 | CC1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccc(Cl)c2)C1 | nan | ||
156014421 | 177181 | 0 | None | -12 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 0 | 1 | 3 | 1.4 | [O-][S+]1CCN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4635293 | 177181 | 0 | None | -12 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 0 | 1 | 3 | 1.4 | [O-][S+]1CCN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
25122654 | 200505 | 0 | None | -54 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 390 | 3 | 2 | 5 | 3.0 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1 | 10.1021/jm901674f | ||
CHEMBL598851 | 200505 | 0 | None | -54 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 390 | 3 | 2 | 5 | 3.0 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1 | 10.1021/jm901674f | ||
135476741 | 155501 | 11 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.8 | CN1C(=N)N(C)/C(=C/c2c[nH]c3ccccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL404232 | 155501 | 11 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.8 | CN1C(=N)N(C)/C(=C/c2c[nH]c3ccccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
117209962 | 184845 | 1 | None | -16 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 242 | 2 | 2 | 3 | 1.8 | Cc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4852622 | 184845 | 1 | None | -16 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 242 | 2 | 2 | 3 | 1.8 | Cc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
136118716 | 93030 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442271 | 93030 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
180 | 400 | 56 | None | -35 | 40 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
200 | 400 | 56 | None | -35 | 40 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2160 | 400 | 56 | None | -35 | 40 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
CHEMBL629 | 400 | 56 | None | -35 | 40 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
DB00321 | 400 | 56 | None | -35 | 40 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
122178703 | 121343 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 5 | 0 | 5 | 4.3 | COc1cc2c(cc1OC(C)C)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581248 | 121343 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 5 | 0 | 5 | 4.3 | COc1cc2c(cc1OC(C)C)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
127049980 | 140609 | 1 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3814485 | 140609 | 1 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
134144970 | 150749 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 461 | 8 | 3 | 9 | 2.3 | CCCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3956531 | 150749 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 461 | 8 | 3 | 9 | 2.3 | CCCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
12901777 | 137973 | 32 | None | -7 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 0.8 | O=C1c2ccccc2C2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL376455 | 137973 | 32 | None | -7 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 0.8 | O=C1c2ccccc2C2CNCCN12 | 10.1021/jm0612968 | ||
44407337 | 74175 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 3.4 | C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL202324 | 74175 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 3.4 | C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
45378934 | 201623 | 0 | None | -8 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.1 | Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12 | 10.1021/jm901674f | ||
CHEMBL605971 | 201623 | 0 | None | -8 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.1 | Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12 | 10.1021/jm901674f | ||
135449090 | 189290 | 4 | None | -2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 268 | 1 | 1 | 2 | 1.9 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL512332 | 189290 | 4 | None | -2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 268 | 1 | 1 | 2 | 1.9 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
4595 | 176691 | 106 | None | 2 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | nan | ||
CHEMBL46 | 176691 | 106 | None | 2 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | nan | ||
136118729 | 93033 | 0 | None | -4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442274 | 93033 | 0 | None | -4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
10150497 | 4043 | 47 | None | -223 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 380 | 4 | 1 | 7 | 2.7 | NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2 | 10.1021/jm070521y | ||
3240 | 4043 | 47 | None | -223 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 380 | 4 | 1 | 7 | 2.7 | NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2 | 10.1021/jm070521y | ||
CHEMBL392760 | 4043 | 47 | None | -223 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 380 | 4 | 1 | 7 | 2.7 | NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2 | 10.1021/jm070521y | ||
168 | 3951 | 15 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
6604042 | 3951 | 15 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL309760 | 3951 | 15 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
10430183 | 205605 | 0 | None | -457 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 2.1 | O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1 | 10.1021/acs.jmedchem.2c00633 | ||
CHEMBL81728 | 205605 | 0 | None | -457 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 2.1 | O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1 | 10.1021/acs.jmedchem.2c00633 | ||
118055338 | 177161 | 0 | None | -57 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.4 | CC1CN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4634942 | 177161 | 0 | None | -57 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.4 | CC1CN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
56852956 | 112016 | 1 | None | -12 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
CHEMBL3289656 | 112016 | 1 | None | -12 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
71618636 | 148861 | 0 | None | -7 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ncccc1OC[C@@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
CHEMBL3941579 | 148861 | 0 | None | -7 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ncccc1OC[C@@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
56665075 | 65635 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834254 | 65635 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
1547484 | 937 | 74 | None | -8 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
654 | 937 | 74 | None | -8 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
9072 | 937 | 74 | None | -8 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL43064 | 937 | 74 | None | -8 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB00568 | 937 | 74 | None | -8 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
44582678 | 181550 | 0 | None | -3 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL476839 | 181550 | 0 | None | -3 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
136188797 | 57292 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/np100588c | ||
CHEMBL1651094 | 57292 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/np100588c | ||
102 | 4096 | 48 | None | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
3659 | 4096 | 48 | None | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
8969 | 4096 | 48 | None | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
CHEMBL15245 | 4096 | 48 | None | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
DB01392 | 4096 | 48 | None | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
24826787 | 91068 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2c(cccc2C(F)(F)F)C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397892 | 91068 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2c(cccc2C(F)(F)F)C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
24826869 | 91073 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397897 | 91073 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
145964159 | 164305 | 0 | None | 3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 273 | 3 | 2 | 4 | 2.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4212435 | 164305 | 0 | None | 3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 273 | 3 | 2 | 4 | 2.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
168281307 | 190782 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 411 | 8 | 0 | 5 | 5.0 | CCCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5183799 | 190782 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 411 | 8 | 0 | 5 | 5.0 | CCCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
56852956 | 112016 | 1 | None | -12 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
CHEMBL3289656 | 112016 | 1 | None | -12 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
11347858 | 137012 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 286 | 1 | 2 | 3 | 1.3 | O=C1c2c(cc(CO)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL374659 | 137012 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 286 | 1 | 2 | 3 | 1.3 | O=C1c2c(cc(CO)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
136030744 | 57291 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL1651093 | 57291 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/acs.jnatprod.7b00317 | ||
134149008 | 148437 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 353 | 3 | 3 | 8 | -0.1 | CN(C)c1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)O)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3938006 | 148437 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 353 | 3 | 3 | 8 | -0.1 | CN(C)c1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)O)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
16115521 | 84636 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1cc2c(cc1Cl)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
CHEMBL222466 | 84636 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1cc2c(cc1Cl)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
155566338 | 175887 | 0 | None | -446 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 4 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4587144 | 175887 | 0 | None | -446 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 4 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
134134668 | 144228 | 0 | None | -4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 381 | 6 | 4 | 8 | 1.4 | CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3904817 | 144228 | 0 | None | -4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 381 | 6 | 4 | 8 | 1.4 | CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
2477 | 742 | 59 | None | -13 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
36 | 742 | 59 | None | -13 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
437 | 742 | 59 | None | -13 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
CHEMBL49 | 742 | 59 | None | -13 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
DB00490 | 742 | 59 | None | -13 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
11666237 | 89083 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337496 | 89083 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365472 | 89083 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
11609026 | 89098 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337500 | 89098 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365705 | 89098 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
44409031 | 74927 | 0 | None | -30 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 223 | 0 | 1 | 3 | 1.5 | C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL203230 | 74927 | 0 | None | -30 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 223 | 0 | 1 | 3 | 1.5 | C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
122178702 | 121342 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 387 | 6 | 0 | 5 | 3.8 | COc1cc2c(cc1OCCF)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581247 | 121342 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 387 | 6 | 0 | 5 | 3.8 | COc1cc2c(cc1OCCF)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
168295984 | 192196 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccccc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5204813 | 192196 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccccc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
134155462 | 151085 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 339 | 3 | 3 | 8 | -0.2 | CN(C)c1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3959210 | 151085 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 339 | 3 | 3 | 8 | -0.2 | CN(C)c1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
10058473 | 20623 | 0 | None | -4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 194 | 3 | 1 | 2 | 2.3 | CN(C)CCc1c[nH]c2sccc12 | 10.1021/jm980692q | ||
CHEMBL13086 | 20623 | 0 | None | -4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 194 | 3 | 1 | 2 | 2.3 | CN(C)CCc1c[nH]c2sccc12 | 10.1021/jm980692q | ||
71681898 | 91060 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 0 | 0 | 2 | 1.0 | CN1CCN2C(=O)c3ccccc3C[C@@H]2C1 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397884 | 91060 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 0 | 0 | 2 | 1.0 | CN1CCN2C(=O)c3ccccc3C[C@@H]2C1 | 10.1016/j.bmcl.2013.04.061 | ||
49865832 | 16131 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 310 | 3 | 1 | 3 | 3.3 | CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224035 | 16131 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 310 | 3 | 1 | 3 | 3.3 | CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
136118618 | 76221 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058417 | 76221 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
56707820 | 2890 | 39 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | 10.6019/CHEMBL4507323 | ||
9155 | 2890 | 39 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | 10.6019/CHEMBL4507323 | ||
CHEMBL4548689 | 2890 | 39 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | 10.6019/CHEMBL4507323 | ||
CHEMBL5306285 | 194560 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 486 | 7 | 2 | 9 | 3.2 | C[C@H](NC(=O)c1cn(C2(C#N)CC2)cn1)C(=O)Nc1nc(-c2cccc(-c3ccn(C)n3)c2)cs1 | 10.6019/CHEMBL5303766 | ||
9859257 | 205100 | 0 | None | -5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 2 | 1 | 3 | 1.3 | C[C@H](N)CN1CCc2ccc3c(c21)CCO3 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL77880 | 205100 | 0 | None | -5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 2 | 1 | 3 | 1.3 | C[C@H](N)CN1CCc2ccc3c(c21)CCO3 | 10.1016/j.bmcl.2003.05.001 | ||
2105 | 3032 | 37 | None | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
47811 | 3032 | 37 | None | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
48 | 3032 | 37 | None | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
CHEMBL531 | 3032 | 37 | None | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
DB01186 | 3032 | 37 | None | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
71028 | 84332 | 25 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 1 | 2 | 2 | 2.4 | COc1ccc2[nH]c3c(c2c1)CCNC3C | 10.1021/jm100600y | ||
CHEMBL221811 | 84332 | 25 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 1 | 2 | 2 | 2.4 | COc1ccc2[nH]c3c(c2c1)CCNC3C | 10.1021/jm100600y | ||
25122652 | 200639 | 0 | None | -134 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 420 | 3 | 2 | 5 | 3.8 | Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCC(N)CC4)cc23)c2ccccc12 | 10.1021/jm901674f | ||
CHEMBL599663 | 200639 | 0 | None | -134 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 420 | 3 | 2 | 5 | 3.8 | Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCC(N)CC4)cc23)c2ccccc12 | 10.1021/jm901674f | ||
11653679 | 181167 | 1 | None | -75 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2008.06.030 | ||
CHEMBL476108 | 181167 | 1 | None | -75 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2008.06.030 | ||
56707820 | 2890 | 39 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | 10.6019/CHEMBL4507323 | ||
9155 | 2890 | 39 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | 10.6019/CHEMBL4507323 | ||
CHEMBL4548689 | 2890 | 39 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | 10.6019/CHEMBL4507323 | ||
56707820 | 2890 | 39 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | 10.6019/CHEMBL5212743 | ||
9155 | 2890 | 39 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | 10.6019/CHEMBL5212743 | ||
CHEMBL4548689 | 2890 | 39 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | 10.6019/CHEMBL5212743 | ||
5009938 | 15377 | 1 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 306 | 4 | 0 | 3 | 3.8 | c1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
CHEMBL1214829 | 15377 | 1 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 306 | 4 | 0 | 3 | 3.8 | c1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
11393128 | 182837 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.8 | CC(C)n1nc2c(c1-c1ccc(C(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4791646 | 182837 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.8 | CC(C)n1nc2c(c1-c1ccc(C(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
10527432 | 36256 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1Cl)CC2 | 10.1021/jm990388c | ||
CHEMBL14458 | 36256 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1Cl)CC2 | 10.1021/jm990388c | ||
10550405 | 38027 | 0 | None | -5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 5.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14606 | 38027 | 0 | None | -5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 5.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
75306277 | 109227 | 0 | None | -2 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
CHEMBL3217984 | 109227 | 0 | None | -2 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
166 | 3334 | 18 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
3045227 | 3334 | 18 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL76781 | 3334 | 18 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
166 | 3334 | 18 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
3045227 | 3334 | 18 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL76781 | 3334 | 18 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
11536843 | 115097 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343673 | 115097 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
11500509 | 120555 | 0 | None | -3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343670 | 120555 | 0 | None | -3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545812 | 120555 | 0 | None | -3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
31101 | 726 | 40 | None | -26 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
35 | 726 | 40 | None | -26 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
403 | 726 | 40 | None | -26 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
CHEMBL493 | 726 | 40 | None | -26 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
DB01200 | 726 | 40 | None | -26 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
10331436 | 323 | 10 | None | -2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
160 | 323 | 10 | None | -2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
CHEMBL133455 | 323 | 10 | None | -2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
242 | 469 | 124 | None | -1 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
34 | 469 | 124 | None | -1 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
60795 | 469 | 124 | None | -1 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
CHEMBL1112 | 469 | 124 | None | -1 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
DB01238 | 469 | 124 | None | -1 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
44364163 | 39758 | 1 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 190 | 1 | 2 | 1 | 2.1 | NC1CC1c1c[nH]c2ccc(F)cc12 | 10.1021/jm980318q | ||
CHEMBL147656 | 39758 | 1 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 190 | 1 | 2 | 1 | 2.1 | NC1CC1c1c[nH]c2ccc(F)cc12 | 10.1021/jm980318q | ||
118464420 | 138220 | 0 | None | 26 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL3770342 | 138220 | 0 | None | 26 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
127035063 | 136461 | 0 | None | 21 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2 | 10.1039/C4MD00418C | ||
CHEMBL3736149 | 136461 | 0 | None | 21 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2 | 10.1039/C4MD00418C | ||
44404886 | 72196 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 260 | 6 | 1 | 3 | 3.3 | CCCCn1cc(CCN(C)C)c2c(O)cccc21 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL198124 | 72196 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 260 | 6 | 1 | 3 | 3.3 | CCCCn1cc(CCN(C)C)c2c(O)cccc21 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL5077293 | 214468 | 0 | None | -17 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | COc1ccccc1-c1cc(C2CCNC2)ccc1Cl | 10.1021/acs.jmedchem.1c00110 | ||||
136118648 | 76292 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058703 | 76292 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
118729266 | 120674 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402676 | 120674 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547137 | 120674 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
10837002 | 35336 | 0 | None | -79 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 4 | 1 | 5 | 5.2 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1021/jm990388c | ||
CHEMBL14374 | 35336 | 0 | None | -79 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 4 | 1 | 5 | 5.2 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1021/jm990388c | ||
18475647 | 197689 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 334 | 5 | 2 | 3 | 4.7 | CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
CHEMBL57135 | 197689 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 334 | 5 | 2 | 3 | 4.7 | CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
10837002 | 35336 | 0 | None | -79 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 4 | 1 | 5 | 5.2 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL14374 | 35336 | 0 | None | -79 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 4 | 1 | 5 | 5.2 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
44298175 | 100913 | 0 | None | -39 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL294030 | 100913 | 0 | None | -39 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
11742218 | 195770 | 0 | None | -25 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.4 | CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL55792 | 195770 | 0 | None | -25 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.4 | CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
18931202 | 206780 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 393 | 7 | 2 | 5 | 2.4 | COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL90346 | 206780 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 393 | 7 | 2 | 5 | 2.4 | COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
73350823 | 102503 | 0 | None | -33 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
CHEMBL2424668 | 102503 | 0 | None | -33 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
CHEMBL3040578 | 102503 | 0 | None | -33 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
10257042 | 204338 | 0 | None | -12 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL71707 | 204338 | 0 | None | -12 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
9866423 | 72275 | 0 | None | -316 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 413 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL198330 | 72275 | 0 | None | -316 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 413 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
24887527 | 79997 | 0 | None | -100 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.9 | COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL212886 | 79997 | 0 | None | -100 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.9 | COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
24887290 | 80220 | 0 | None | -630 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CC=C(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL213839 | 80220 | 0 | None | -630 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CC=C(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
44414051 | 166203 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 5.0 | COc1ccc(C2=C(C)CN(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL426684 | 166203 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 5.0 | COc1ccc(C2=C(C)CN(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
10454231 | 168937 | 0 | None | -79 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(C2=CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL438963 | 168937 | 0 | None | -79 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(C2=CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
11292933 | 56364 | 45 | None | -2511 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 5 | 1 | 4 | 3.4 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
CHEMBL1631540 | 56364 | 45 | None | -2511 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 5 | 1 | 4 | 3.4 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
44298100 | 196042 | 0 | None | -158 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL56050 | 196042 | 0 | None | -158 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
153287551 | 169928 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 1 | 0 | 2 | 3.8 | CC(=O)N1CC[C@H]2c3cccc(-c4ccccc4)c3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4441621 | 169928 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 1 | 0 | 2 | 3.8 | CC(=O)N1CC[C@H]2c3cccc(-c4ccccc4)c3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
153287553 | 171080 | 0 | None | -79 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4457754 | 171080 | 0 | None | -79 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
17989823 | 152052 | 0 | None | -316 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.0 | COc1ccc(N2Cc3cccc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL396748 | 152052 | 0 | None | -316 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.0 | COc1ccc(N2Cc3cccc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
10813396 | 98688 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.6 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cc(F)cc(F)c3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL277732 | 98688 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.6 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cc(F)cc(F)c3)c1)CC2 | 10.1021/jm990388c | ||
18357723 | 195497 | 0 | None | -31 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 424 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Br)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL55388 | 195497 | 0 | None | -31 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 424 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Br)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
44298129 | 195934 | 0 | None | -125 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 364 | 3 | 1 | 4 | 4.3 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL55958 | 195934 | 0 | None | -125 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 364 | 3 | 1 | 4 | 4.3 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
2028 | 2958 | 80 | None | -40 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
359 | 2958 | 80 | None | -40 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
4634 | 2958 | 80 | None | -40 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
CHEMBL1231 | 2958 | 80 | None | -40 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
DB01062 | 2958 | 80 | None | -40 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
136020617 | 57293 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/np100588c | ||
CHEMBL1651095 | 57293 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/np100588c | ||
132060770 | 162615 | 0 | None | -8 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4169689 | 162615 | 0 | None | -8 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
135367820 | 164797 | 0 | None | -9 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 2.2 | Fc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
CHEMBL4218672 | 164797 | 0 | None | -9 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 2.2 | Fc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
135846981 | 93023 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.6 | C/N=C1/N/C(=C/c2c[nH]c3ccccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442265 | 93023 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.6 | C/N=C1/N/C(=C/c2c[nH]c3ccccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL5306285 | 194560 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 486 | 7 | 2 | 9 | 3.2 | C[C@H](NC(=O)c1cn(C2(C#N)CC2)cn1)C(=O)Nc1nc(-c2cccc(-c3ccn(C)n3)c2)cs1 | 10.6019/CHEMBL5303766 | ||
CHEMBL5072247 | 214252 | 5 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||||
145980271 | 166468 | 0 | None | 1 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 538 | 8 | 1 | 3 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL4278465 | 166468 | 0 | None | 1 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 538 | 8 | 1 | 3 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL4475494 | 213928 | 6 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O | 10.6019/CHEMBL4879554 | ||||
71452172 | 83489 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 2.4 | c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 | 10.1021/ml3002715 | ||
CHEMBL2203551 | 83489 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 2.4 | c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 | 10.1021/ml3002715 | ||
46230100 | 199296 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1ccc2c(c1)N1CCNCCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590531 | 199296 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1ccc2c(c1)N1CCNCCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
127049981 | 140574 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3813789 | 140574 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
135464118 | 93031 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442272 | 93031 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
155556596 | 174399 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 5 | 4 | 7 | 3.1 | OC[C@@]12C[C@@H]1[C@@H](n1cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b00689 | ||
CHEMBL4552895 | 174399 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 5 | 4 | 7 | 3.1 | OC[C@@]12C[C@@H]1[C@@H](n1cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b00689 | ||
161 | 751 | 6 | None | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
4284720 | 751 | 6 | None | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
CHEMBL1255834 | 751 | 6 | None | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
58911644 | 91071 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 0 | 1 | 3 | 0.5 | N#Cc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397895 | 91071 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 0 | 1 | 3 | 0.5 | N#Cc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
136020617 | 57293 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL1651095 | 57293 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4475494 | 213928 | 6 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O | 10.6019/CHEMBL4879554 | ||||
44407460 | 140325 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 315 | 5 | 1 | 3 | 4.4 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL380763 | 140325 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 315 | 5 | 1 | 3 | 4.4 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1 | 10.1016/j.bmcl.2005.10.029 | ||
90181061 | 160847 | 0 | None | 1 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ncccc1OC[C@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
CHEMBL4115017 | 160847 | 0 | None | 1 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ncccc1OC[C@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
145 | 140 | 49 | None | -87 | 30 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
1832 | 140 | 49 | None | -87 | 30 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
CHEMBL7257 | 140 | 49 | None | -87 | 30 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
DB14010 | 140 | 49 | None | -87 | 30 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
2726 | 916 | 68 | None | -19 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm100600y | ||
621 | 916 | 68 | None | -19 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm100600y | ||
83 | 916 | 68 | None | -19 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm100600y | ||
CHEMBL71 | 916 | 68 | None | -19 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm100600y | ||
DB00477 | 916 | 68 | None | -19 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm100600y | ||
72735042 | 106283 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 293 | 2 | 3 | 2 | 1.6 | NC(N)=NC(=O)/C=C/c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092763 | 106283 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 293 | 2 | 3 | 2 | 1.6 | NC(N)=NC(=O)/C=C/c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3139089 | 106283 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 293 | 2 | 3 | 2 | 1.6 | NC(N)=NC(=O)/C=C/c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
127036953 | 137490 | 0 | None | -5 | 22 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL3754166 | 137490 | 0 | None | -5 | 22 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
118709751 | 113514 | 0 | None | -407 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F | 10.1016/j.bmcl.2014.07.018 | ||
CHEMBL3321792 | 113514 | 0 | None | -407 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F | 10.1016/j.bmcl.2014.07.018 | ||
136118653 | 93025 | 0 | None | 2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442267 | 93025 | 0 | None | 2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
54764240 | 68839 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 2.7 | CC/C=C1\C[C@H]2CNc3ccccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
CHEMBL1922539 | 68839 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 2.7 | CC/C=C1\C[C@H]2CNc3ccccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
CHEMBL4592872 | 213997 | 0 | None | -4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@H]1c1ccc(F)cc1 | 10.6019/CHEMBL5212743 | ||||
58405078 | 110669 | 0 | None | -6 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 310 | 5 | 1 | 5 | 3.0 | Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1 | 10.1021/ml500082j | ||
CHEMBL3260335 | 110669 | 0 | None | -6 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 310 | 5 | 1 | 5 | 3.0 | Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1 | 10.1021/ml500082j | ||
398712 | 77840 | 5 | None | -52 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 417 | 9 | 1 | 5 | 2.9 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1 | 10.1021/jm0508641 | ||
CHEMBL209324 | 77840 | 5 | None | -52 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 417 | 9 | 1 | 5 | 2.9 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1 | 10.1021/jm0508641 | ||
9859144 | 67331 | 1 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 208 | 0 | 1 | 2 | 1.7 | Clc1ccc2c(c1)N1CCNCC1C2 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL188605 | 67331 | 1 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 208 | 0 | 1 | 2 | 1.7 | Clc1ccc2c(c1)N1CCNCC1C2 | 10.1016/j.bmcl.2005.05.074 | ||
122178701 | 121341 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 9 | 0 | 5 | 5.4 | CCCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581246 | 121341 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 9 | 0 | 5 | 5.4 | CCCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
122178708 | 121348 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 423 | 5 | 0 | 5 | 5.2 | COc1cc2c(cc1OC1CCCCC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581253 | 121348 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 423 | 5 | 0 | 5 | 5.2 | COc1cc2c(cc1OC1CCCCC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
2884131 | 166884 | 7 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 275 | 1 | 3 | 5 | 2.2 | NC1=NC2(CCCCC2)NC(Nc2cccc(F)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4286420 | 166884 | 7 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 275 | 1 | 3 | 5 | 2.2 | NC1=NC2(CCCCC2)NC(Nc2cccc(F)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
71655748 | 87796 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 359 | 5 | 1 | 4 | 4.8 | CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCOCC1)N2 | 10.1021/jm400181k | ||
CHEMBL2338343 | 87796 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 359 | 5 | 1 | 4 | 4.8 | CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCOCC1)N2 | 10.1021/jm400181k | ||
142601335 | 186397 | 0 | None | -44 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 256 | 2 | 2 | 3 | 2.2 | Cc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4876193 | 186397 | 0 | None | -44 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 256 | 2 | 2 | 3 | 2.2 | Cc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
134157367 | 153874 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 517 | 10 | 5 | 9 | 1.0 | CC(=O)NCCCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3983143 | 153874 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 517 | 10 | 5 | 9 | 1.0 | CC(=O)NCCCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
11644842 | 89068 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337105 | 89068 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365394 | 89068 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
4098 | 32475 | 30 | None | -14 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
CHEMBL1255739 | 32475 | 30 | None | -14 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
CHEMBL1411979 | 32475 | 30 | None | -14 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
CHEMBL4557026 | 213984 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c1ccccn1 | 10.6019/CHEMBL5212743 | ||||
54764241 | 68838 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.3 | C/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
CHEMBL1922538 | 68838 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.3 | C/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
18735313 | 204911 | 1 | None | -4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL76307 | 204911 | 1 | None | -4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
24826868 | 91053 | 1 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397877 | 91053 | 1 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
127049979 | 140625 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
CHEMBL3814708 | 140625 | 1 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
5282379 | 194961 | 69 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | nan | ||
CHEMBL547 | 194961 | 69 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | nan | ||
118729242 | 120659 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402661 | 120659 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547028 | 120659 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
181743 | 178548 | 5 | None | -275 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL467094 | 178548 | 5 | None | -275 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
181743 | 178548 | 5 | None | -275 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
CHEMBL467094 | 178548 | 5 | None | -275 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
16115511 | 84808 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
CHEMBL223466 | 84808 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
122178709 | 121349 | 0 | None | -2 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 4.0 | C=CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581254 | 121349 | 0 | None | -2 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 4.0 | C=CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
4407909 | 192842 | 1 | None | 4 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5182943 | 192842 | 1 | None | 4 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
CHEMBL5221893 | 192842 | 1 | None | 4 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
118055233 | 177244 | 0 | None | -38 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 214 | 0 | 1 | 2 | 2.0 | c1cc2c3c(c1)C1(CCC1)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4636196 | 177244 | 0 | None | -38 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 214 | 0 | 1 | 2 | 2.0 | c1cc2c3c(c1)C1(CCC1)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
11448649 | 83404 | 0 | None | -27 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 272 | 1 | 1 | 3 | 1.7 | O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL219734 | 83404 | 0 | None | -27 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 272 | 1 | 1 | 3 | 1.7 | O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
29101 | 72195 | 2 | None | -10 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 298 | 5 | 2 | 4 | 1.8 | CN(C)CCc1cn(C)c2cccc(OP(=O)(O)O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL198123 | 72195 | 2 | None | -10 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 298 | 5 | 2 | 4 | 1.8 | CN(C)CCc1cn(C)c2cccc(OP(=O)(O)O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
71061709 | 149503 | 0 | None | -3 | 12 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
CHEMBL3946540 | 149503 | 0 | None | -3 | 12 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
11222829 | 91082 | 0 | None | -3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2cccc(C(F)(F)F)c2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397906 | 91082 | 0 | None | -3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2cccc(C(F)(F)F)c2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
162669941 | 182631 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 409 | 6 | 4 | 8 | 1.8 | CC(C)C(Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C(C)C | 10.1016/j.bmcl.2020.127599 | ||
CHEMBL4788883 | 182631 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 409 | 6 | 4 | 8 | 1.8 | CC(C)C(Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C(C)C | 10.1016/j.bmcl.2020.127599 | ||
44404895 | 170785 | 0 | None | -12 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 292 | 3 | 2 | 2 | 3.9 | Oc1cccc2[nH]cc(CCN3CCCc4ccccc43)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL445331 | 170785 | 0 | None | -12 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 292 | 3 | 2 | 2 | 3.9 | Oc1cccc2[nH]cc(CCN3CCCc4ccccc43)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL4798829 | 214030 | 7 | None | 6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | c1ccc2oc(-c3csc(C4CCN(Cc5nc6ncccc6[nH]5)CC4)n3)cc2c1 | 10.6019/CHEMBL5212743 | ||||
44582705 | 186972 | 0 | None | -3 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL490632 | 186972 | 0 | None | -3 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
3158 | 56237 | 27 | None | -389 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
CHEMBL1628227 | 56237 | 27 | None | -389 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
122178699 | 121340 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 397 | 7 | 0 | 5 | 4.6 | CCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581245 | 121340 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 397 | 7 | 0 | 5 | 4.6 | CCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
216239 | 23763 | 118 | None | 2 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1021/jm300338m | ||
CHEMBL1200485 | 23763 | 118 | None | 2 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1021/jm300338m | ||
CHEMBL1336 | 23763 | 118 | None | 2 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1021/jm300338m | ||
73213195 | 104432 | 0 | None | -1 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104092 | 104432 | 0 | None | -1 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
11808247 | 18043 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL126667 | 18043 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819366 | 18043 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
11808247 | 18043 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL126667 | 18043 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819366 | 18043 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
44456400 | 12802 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL1188501 | 12802 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL2436555 | 12802 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL536539 | 12802 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
44456400 | 12802 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL1188501 | 12802 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL2436555 | 12802 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL536539 | 12802 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
49865830 | 16128 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 296 | 1 | 1 | 3 | 3.0 | CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224032 | 16128 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 296 | 1 | 1 | 3 | 3.0 | CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
41305446 | 167228 | 1 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
CHEMBL4292719 | 167228 | 1 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
46914772 | 15409 | 0 | None | 56 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.1 | FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
CHEMBL1215036 | 15409 | 0 | None | 56 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.1 | FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
73213195 | 104432 | 0 | None | -1 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104092 | 104432 | 0 | None | -1 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
122178700 | 121279 | 0 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 411 | 8 | 0 | 5 | 5.0 | CCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3580670 | 121279 | 0 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 411 | 8 | 0 | 5 | 5.0 | CCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
71681899 | 91058 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 0.7 | O=C1c2ccccc2C[C@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397882 | 91058 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 0.7 | O=C1c2ccccc2C[C@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
2291 | 3162 | 58 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
2561 | 3162 | 58 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
4932 | 3162 | 58 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
CHEMBL631 | 3162 | 58 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
DB01182 | 3162 | 58 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
44364514 | 121673 | 10 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | NC1CC1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
CHEMBL358810 | 121673 | 10 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | NC1CC1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
10103618 | 121500 | 4 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | N[C@@H]1C[C@H]1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
CHEMBL358522 | 121500 | 4 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | N[C@@H]1C[C@H]1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
50878551 | 90716 | 61 | None | -1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL2391541 | 90716 | 61 | None | -1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
11492300 | 89082 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 188 | 0 | 2 | 2 | 0.5 | O=C1N[C@H]2CNC[C@@H]2c2ccccc21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337495 | 89082 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 188 | 0 | 2 | 2 | 0.5 | O=C1N[C@H]2CNC[C@@H]2c2ccccc21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365471 | 89082 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 188 | 0 | 2 | 2 | 0.5 | O=C1N[C@H]2CNC[C@@H]2c2ccccc21 | 10.1016/j.bmcl.2012.10.091 | ||
68691189 | 91079 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 0 | 1 | 3 | 0.5 | N#Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397903 | 91079 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 0 | 1 | 3 | 0.5 | N#Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
25117677 | 200229 | 0 | None | -23 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 420 | 4 | 1 | 5 | 3.7 | CN(C)[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
CHEMBL597009 | 200229 | 0 | None | -23 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 420 | 4 | 1 | 5 | 3.7 | CN(C)[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
176 | 397 | 66 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2157 | 397 | 66 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2566 | 397 | 66 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
CHEMBL633 | 397 | 66 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
DB01118 | 397 | 66 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
127051844 | 140822 | 0 | None | -48 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 2.8 | NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819427 | 140822 | 0 | None | -48 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 2.8 | NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
127051844 | 140822 | 0 | None | -48 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 2.8 | NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3819427 | 140822 | 0 | None | -48 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 2.8 | NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
136118620 | 76223 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058419 | 76223 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
44397846 | 67615 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.7 | Cc1cccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL190584 | 67615 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.7 | Cc1cccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
127034729 | 136340 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 463 | 12 | 0 | 6 | 5.1 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
CHEMBL3734894 | 136340 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 463 | 12 | 0 | 6 | 5.1 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
127036910 | 136440 | 0 | None | 18 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 419 | 10 | 0 | 5 | 4.7 | COc1ccc(CCN(CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735862 | 136440 | 0 | None | 18 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 419 | 10 | 0 | 5 | 4.7 | COc1ccc(CCN(CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1OC | 10.1039/C4MD00418C | ||
136118615 | 93036 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3c(Br)cccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442277 | 93036 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3c(Br)cccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
657255 | 199061 | 34 | None | -9 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
CHEMBL588119 | 199061 | 34 | None | -9 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
45486824 | 197354 | 0 | None | -14 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 4 | 3 | 4 | 3.3 | O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
CHEMBL569251 | 197354 | 0 | None | -14 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 4 | 3 | 4 | 3.3 | O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
135427931 | 73091 | 2 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 317 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(I)c21 | 10.1021/jm050663x | ||
CHEMBL201132 | 73091 | 2 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 317 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(I)c21 | 10.1021/jm050663x | ||
58911579 | 91067 | 0 | None | 12 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 1.5 | O=C1c2c(cccc2C2CC2)C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397891 | 91067 | 0 | None | 12 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 1.5 | O=C1c2c(cccc2C2CC2)C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
277 | 1289 | 62 | None | -5 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2913 | 1289 | 62 | None | -5 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
765 | 1289 | 62 | None | -5 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL516 | 1289 | 62 | None | -5 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
DB00434 | 1289 | 62 | None | -5 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
118464420 | 138220 | 0 | None | 26 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770342 | 138220 | 0 | None | 26 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
118464421 | 167268 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(Cl)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
CHEMBL4293638 | 167268 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(Cl)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
118706294 | 120509 | 0 | None | 7 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 311 | 3 | 3 | 3 | 1.3 | COCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310118 | 120509 | 0 | None | 7 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 311 | 3 | 3 | 3 | 1.3 | COCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545470 | 120509 | 0 | None | 7 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 311 | 3 | 3 | 3 | 1.3 | COCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
44324142 | 206933 | 0 | None | -25 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 427 | 7 | 2 | 5 | 3.0 | COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL91221 | 206933 | 0 | None | -25 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 427 | 7 | 2 | 5 | 3.0 | COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
10670191 | 40867 | 0 | None | -15 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.1 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14864 | 40867 | 0 | None | -15 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.1 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2 | 10.1021/jm990388c | ||
135398745 | 2893 | 112 | None | -5 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
47 | 2893 | 112 | None | -5 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
CHEMBL715 | 2893 | 112 | None | -5 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
DB00334 | 2893 | 112 | None | -5 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
44298080 | 195947 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 4 | 1 | 5 | 4.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cncn3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL55969 | 195947 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 4 | 1 | 5 | 4.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cncn3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
191 | 402 | 98 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
201 | 402 | 98 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
2170 | 402 | 98 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
CHEMBL1113 | 402 | 98 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
DB00543 | 402 | 98 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
118706292 | 120508 | 0 | None | 6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 297 | 2 | 4 | 3 | 0.7 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3310117 | 120508 | 0 | None | 6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 297 | 2 | 4 | 3 | 0.7 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
CHEMBL3545469 | 120508 | 0 | None | 6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 297 | 2 | 4 | 3 | 0.7 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
127035065 | 136475 | 0 | None | 30 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1 | 10.1039/C4MD00418C | ||
CHEMBL3736207 | 136475 | 0 | None | 30 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1 | 10.1039/C4MD00418C | ||
73453 | 29585 | 24 | None | -9 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
CHEMBL1385840 | 29585 | 24 | None | -9 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
118729258 | 120670 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402671 | 120670 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547133 | 120670 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
127036186 | 137389 | 0 | None | -1 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL3753318 | 137389 | 0 | None | -1 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
71062829 | 160110 | 0 | None | 1 | 3 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 6 | 0 | 5 | 2.2 | c1ccc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)nc1 | nan | ||
CHEMBL4108986 | 160110 | 0 | None | 1 | 3 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 6 | 0 | 5 | 2.2 | c1ccc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)nc1 | nan | ||
10659364 | 120688 | 0 | None | -50 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@@H]1C[C@@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402685 | 120688 | 0 | None | -50 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@@H]1C[C@@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547178 | 120688 | 0 | None | -50 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@@H]1C[C@@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
122187376 | 122998 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 457 | 6 | 0 | 5 | 5.9 | CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3609141 | 122998 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 457 | 6 | 0 | 5 | 5.9 | CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
9978683 | 18642 | 0 | None | -380 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 3.3 | CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1 | 10.1021/jm1007825 | ||
CHEMBL1277104 | 18642 | 0 | None | -380 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 3.3 | CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1 | 10.1021/jm1007825 | ||
53325861 | 56826 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL1643902 | 56826 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
53325861 | 56826 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | ||
CHEMBL1643902 | 56826 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | ||
117209858 | 184530 | 1 | None | -3 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 262 | 2 | 2 | 3 | 2.1 | Clc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4848305 | 184530 | 1 | None | -3 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 262 | 2 | 2 | 3 | 2.1 | Clc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
46230047 | 199227 | 0 | None | 16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1ccc2c(c1)C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590089 | 199227 | 0 | None | 16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1ccc2c(c1)C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
24839550 | 137290 | 14 | None | 1 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL3752576 | 137290 | 14 | None | 1 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | ||
45486891 | 196917 | 0 | None | -83 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 449 | 6 | 3 | 4 | 4.1 | O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
CHEMBL566379 | 196917 | 0 | None | -83 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 449 | 6 | 3 | 4 | 4.1 | O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
27620 | 140793 | 13 | None | -269 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 297 | 5 | 0 | 2 | 3.8 | O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3818994 | 140793 | 13 | None | -269 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 297 | 5 | 0 | 2 | 3.8 | O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
24360 | 203321 | 106 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 1 | 1 | 6 | 2.1 | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 | nan | ||
CHEMBL65 | 203321 | 106 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 1 | 1 | 6 | 2.1 | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 | nan | ||
44315697 | 205482 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 254 | 4 | 1 | 3 | 2.6 | CCSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL80731 | 205482 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 254 | 4 | 1 | 3 | 2.6 | CCSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
3952 | 1875 | 38 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5353646 | 1875 | 38 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5443 | 1875 | 38 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5702063 | 1875 | 38 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL1331786 | 1875 | 38 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL420 | 1875 | 38 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
145967771 | 164763 | 0 | None | 3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4218231 | 164763 | 0 | None | 3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
57396813 | 71516 | 0 | None | -891 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
CHEMBL1949930 | 71516 | 0 | None | -891 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
CHEMBL1963007 | 71516 | 0 | None | -891 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
44407335 | 73065 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 321 | 5 | 1 | 3 | 4.7 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL201117 | 73065 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 321 | 5 | 1 | 3 | 4.7 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1 | 10.1016/j.bmcl.2005.10.029 | ||
57799321 | 89032 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337491 | 89032 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2364961 | 89032 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
71462777 | 82936 | 0 | None | -83 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 5 | 0 | 4 | 4.3 | CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1 | 10.1021/jm300943r | ||
CHEMBL2181171 | 82936 | 0 | None | -83 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 5 | 0 | 4 | 4.3 | CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1 | 10.1021/jm300943r | ||
56658156 | 65637 | 0 | None | 9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
CHEMBL1834256 | 65637 | 0 | None | 9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
168281486 | 191010 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 387 | 6 | 0 | 5 | 3.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCCF)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5187013 | 191010 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 387 | 6 | 0 | 5 | 3.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCCF)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
11630147 | 91084 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.1 | CCOc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397908 | 91084 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.1 | CCOc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
44298209 | 194568 | 0 | None | -19 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 395 | 3 | 1 | 5 | 4.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL53113 | 194568 | 0 | None | -19 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 395 | 3 | 1 | 5 | 4.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
44298225 | 195455 | 0 | None | -50 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 456 | 3 | 1 | 5 | 5.1 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(C(F)(F)F)c2c3CCO2)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL55292 | 195455 | 0 | None | -50 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 456 | 3 | 1 | 5 | 5.1 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(C(F)(F)F)c2c3CCO2)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
44298244 | 200052 | 0 | None | -79 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 5.2 | Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL59584 | 200052 | 0 | None | -79 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 5.2 | Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
17989871 | 150301 | 0 | None | -50 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.6 | COc1ccc(N2Cc3cc(Cl)c(C)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
CHEMBL395298 | 150301 | 0 | None | -50 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.6 | COc1ccc(N2Cc3cc(Cl)c(C)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
10693974 | 35635 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccc(F)cc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14401 | 35635 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccc(F)cc3)c1)CC2 | 10.1021/jm990388c | ||
10458193 | 86813 | 0 | None | -25 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4cc(F)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL232254 | 86813 | 0 | None | -25 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4cc(F)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
44568347 | 191627 | 0 | None | -30 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL519609 | 191627 | 0 | None | -30 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
18475581 | 199576 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 318 | 2 | 2 | 4 | 4.3 | Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1 | 10.1016/s0960-894x(01)00343-2 | ||
CHEMBL59266 | 199576 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 318 | 2 | 2 | 4 | 4.3 | Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1 | 10.1016/s0960-894x(01)00343-2 | ||
24888180 | 79839 | 0 | None | -251 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 426 | 7 | 0 | 4 | 4.6 | COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL212270 | 79839 | 0 | None | -251 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 426 | 7 | 0 | 4 | 4.6 | COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
24887518 | 80255 | 0 | None | -794 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
CHEMBL213987 | 80255 | 0 | None | -794 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
44298091 | 101692 | 0 | None | -99 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 398 | 3 | 1 | 4 | 5.0 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL299530 | 101692 | 0 | None | -99 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 398 | 3 | 1 | 4 | 5.0 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
10476876 | 194953 | 0 | None | -158 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL54610 | 194953 | 0 | None | -158 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
44298182 | 194974 | 0 | None | -199 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 424 | 3 | 1 | 4 | 4.9 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL54769 | 194974 | 0 | None | -199 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 424 | 3 | 1 | 4 | 4.9 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
10413595 | 161817 | 0 | None | -1995 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.5 | COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1 | 10.1016/s0960-894x(00)00597-7 | ||
CHEMBL414628 | 161817 | 0 | None | -1995 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.5 | COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1 | 10.1016/s0960-894x(00)00597-7 | ||
6918647 | 100718 | 2 | None | -125 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 439 | 5 | 1 | 5 | 3.0 | COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1 | 10.1021/jm980532e | ||
CHEMBL292759 | 100718 | 2 | None | -125 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 439 | 5 | 1 | 5 | 3.0 | COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1 | 10.1021/jm980532e | ||
18931344 | 206511 | 0 | None | -19 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 544 | 11 | 3 | 8 | 2.5 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL88571 | 206511 | 0 | None | -19 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 544 | 11 | 3 | 8 | 2.5 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
155557042 | 174533 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 1 | 1 | 3 | 1.9 | COc1ccc2c(c1)[C@@H]1CCN[C@]1(C)CO2 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4556297 | 174533 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 1 | 1 | 3 | 1.9 | COc1ccc2c(c1)[C@@H]1CCN[C@]1(C)CO2 | 10.1021/acsmedchemlett.9b00225 | ||
15124 | 141110 | 7 | None | 1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(C)CCc1c[nH]c2cc(O)ccc12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL382750 | 141110 | 7 | None | 1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(C)CCc1c[nH]c2cc(O)ccc12 | 10.1016/j.bmcl.2005.06.104 | ||
118055308 | 177738 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 208 | 0 | 1 | 2 | 1.8 | Clc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4642763 | 177738 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 208 | 0 | 1 | 2 | 1.8 | Clc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
2099 | 9275 | 55 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | nan | ||
CHEMBL1110 | 9275 | 55 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | nan | ||
25209050 | 181566 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 479 | 6 | 2 | 6 | 3.9 | Cc1c(Cn2ncc(N3CCNCC3)cc2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
CHEMBL477008 | 181566 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 479 | 6 | 2 | 6 | 3.9 | Cc1c(Cn2ncc(N3CCNCC3)cc2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
11820166 | 40245 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 202 | 2 | 2 | 2 | 2.0 | COc1cccc2[nH]cc(C3CC3N)c12 | 10.1021/jm980318q | ||
CHEMBL148091 | 40245 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 202 | 2 | 2 | 2 | 2.0 | COc1cccc2[nH]cc(C3CC3N)c12 | 10.1021/jm980318q | ||
70695812 | 73255 | 0 | None | -831 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 5 | 3 | 7 | 2.0 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL2012686 | 73255 | 0 | None | -831 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 5 | 3 | 7 | 2.0 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | ||
71062560 | 153404 | 0 | None | -1 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 352 | 5 | 0 | 4 | 2.4 | O=C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc21 | nan | ||
CHEMBL3979116 | 153404 | 0 | None | -1 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 352 | 5 | 0 | 4 | 2.4 | O=C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc21 | nan | ||
59511191 | 185499 | 3 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 228 | 2 | 2 | 3 | 1.5 | c1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4862745 | 185499 | 3 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 228 | 2 | 2 | 3 | 1.5 | c1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
44276349 | 99976 | 0 | None | -288 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 325 | 3 | 4 | 8 | -0.2 | CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL286739 | 99976 | 0 | None | -288 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 325 | 3 | 4 | 8 | -0.2 | CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
11427139 | 84658 | 0 | None | -15 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 282 | 1 | 1 | 2 | 2.4 | C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL222566 | 84658 | 0 | None | -15 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 282 | 1 | 1 | 2 | 2.4 | C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
2274 | 3151 | 58 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
4917 | 3151 | 58 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
7279 | 3151 | 58 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
CHEMBL728 | 3151 | 58 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
DB00433 | 3151 | 58 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
132060812 | 162012 | 0 | None | -16 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4160064 | 162012 | 0 | None | -16 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
44215629 | 156318 | 1 | None | -12 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 206 | 0 | 1 | 2 | 1.9 | N#Cc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL406585 | 156318 | 1 | None | -12 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 206 | 0 | 1 | 2 | 1.9 | N#Cc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
118729236 | 120652 | 0 | None | -9 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402658 | 120652 | 0 | None | -9 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547011 | 120652 | 0 | None | -9 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL4513786 | 213944 | 7 | None | -1174 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC | 10.6019/CHEMBL5212743 | ||||
CHEMBL4796803 | 213944 | 7 | None | -1174 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC | 10.6019/CHEMBL5212743 | ||||
46914776 | 15386 | 0 | None | 7 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
CHEMBL1214892 | 15386 | 0 | None | 7 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
71062708 | 154282 | 0 | None | -3 | 12 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
CHEMBL3986651 | 154282 | 0 | None | -3 | 12 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
49865886 | 16148 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 262 | 2 | 1 | 3 | 2.1 | CCCNC(=O)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
CHEMBL1224102 | 16148 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 262 | 2 | 1 | 3 | 2.1 | CCCNC(=O)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
11198145 | 9783 | 2 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
CHEMBL113830 | 9783 | 2 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
49783209 | 17577 | 0 | None | -114 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
CHEMBL1258223 | 17577 | 0 | None | -114 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
10539928 | 120681 | 0 | None | -8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402668 | 120681 | 0 | None | -8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547154 | 120681 | 0 | None | -8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
136118619 | 76222 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058418 | 76222 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
25060119 | 104288 | 0 | None | -9332 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 6.1 | COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC | 10.1016/j.bmcl.2013.10.045 | ||
CHEMBL3099899 | 104288 | 0 | None | -9332 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 6.1 | COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC | 10.1016/j.bmcl.2013.10.045 | ||
122187377 | 122999 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 8 | 0 | 5 | 6.7 | CCCCCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3609142 | 122999 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 8 | 0 | 5 | 6.7 | CCCCCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL5071978 | 214249 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CCN(CC)Cc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
44397752 | 125243 | 0 | None | -7 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.0 | Cc1ccc2c(c1C)N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL364534 | 125243 | 0 | None | -7 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.0 | Cc1ccc2c(c1C)N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.05.074 | ||
46230097 | 199343 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.6 | O=C1NC2CCNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590816 | 199343 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.6 | O=C1NC2CCNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
130442480 | 175246 | 0 | None | -83 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4572614 | 175246 | 0 | None | -83 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
134150123 | 152066 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 381 | 4 | 2 | 9 | 0.4 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)C)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3967613 | 152066 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 381 | 4 | 2 | 9 | 0.4 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)C)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
3033538 | 1307 | 39 | None | -12 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
7155 | 1307 | 39 | None | -12 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
781 | 1307 | 39 | None | -12 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
CHEMBL1201216 | 1307 | 39 | None | -12 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
DB00298 | 1307 | 39 | None | -12 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
16118795 | 60066 | 0 | None | -954 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1642851 | 60066 | 0 | None | -954 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1739215 | 60066 | 0 | None | -954 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
16117153 | 60109 | 0 | None | -1122 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1ccc2ccccc2c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1642889 | 60109 | 0 | None | -1122 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1ccc2ccccc2c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
CHEMBL1739616 | 60109 | 0 | None | -1122 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1ccc2ccccc2c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
70695812 | 73255 | 0 | None | -831 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 5 | 3 | 7 | 2.0 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL2012686 | 73255 | 0 | None | -831 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 5 | 3 | 7 | 2.0 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.6b01183 | ||
44352308 | 117461 | 0 | None | -83 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 5 | 2 | 2 | 4.0 | Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C | 10.1021/jm0155190 | ||
CHEMBL339980 | 117461 | 0 | None | -83 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 5 | 2 | 2 | 4.0 | Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C | 10.1021/jm0155190 | ||
122442272 | 138323 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769968 | 138323 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771384 | 138323 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
213 | 3824 | 55 | None | -5 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
2717 | 3824 | 55 | None | -5 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
5533 | 3824 | 55 | None | -5 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
CHEMBL621 | 3824 | 55 | None | -5 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
DB00656 | 3824 | 55 | None | -5 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
44409097 | 76577 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 257 | 0 | 1 | 3 | 1.8 | C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL206333 | 76577 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 257 | 0 | 1 | 3 | 1.8 | C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
44626329 | 197385 | 0 | None | -20 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 420 | 3 | 2 | 4 | 3.7 | O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
CHEMBL569513 | 197385 | 0 | None | -20 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 420 | 3 | 2 | 4 | 3.7 | O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
11148641 | 91061 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397885 | 91061 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL5091373 | 215544 | 0 | None | -33 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
CHEMBL5095981 | 215544 | 0 | None | -33 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
2351 | 3261 | 64 | None | -7 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1021/jm100600y | ||
2820 | 3261 | 64 | None | -7 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1021/jm100600y | ||
5035 | 3261 | 64 | None | -7 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1021/jm100600y | ||
CHEMBL81 | 3261 | 64 | None | -7 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1021/jm100600y | ||
DB00481 | 3261 | 64 | None | -7 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1021/jm100600y | ||
122442272 | 138323 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769968 | 138323 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771384 | 138323 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
9909648 | 205550 | 3 | None | -22 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 4 | 0 | 3 | 3.7 | Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1 | 10.1021/jm100600y | ||
CHEMBL81330 | 205550 | 3 | None | -22 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 4 | 0 | 3 | 3.7 | Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1 | 10.1021/jm100600y | ||
145977799 | 163619 | 0 | None | 1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4204036 | 163619 | 0 | None | 1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4778870 | 214024 | 8 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1 | 10.6019/CHEMBL4800732 | ||||
12488 | 1644 | 56 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
941361 | 1644 | 56 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
CHEMBL30008 | 1644 | 56 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
DB04841 | 1644 | 56 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
53324553 | 56825 | 0 | None | -9 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL1643900 | 56825 | 0 | None | -9 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
53324553 | 56825 | 0 | None | -9 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
CHEMBL1643900 | 56825 | 0 | None | -9 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
CHEMBL4778870 | 214024 | 8 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1 | 10.6019/CHEMBL4800732 | ||||
16115271 | 79079 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.8 | CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
CHEMBL2113264 | 79079 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.8 | CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
71720492 | 86939 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 493 | 8 | 2 | 5 | 3.0 | C=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1021/ml3003814 | ||
CHEMBL2323578 | 86939 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 493 | 8 | 2 | 5 | 3.0 | C=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1021/ml3003814 | ||
135398737 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
9803032 | 191429 | 0 | None | -12 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 7 | 0 | 4 | 4.4 | COc1ccccc1N1CCN(CC[C@@H](C(=O)N2CCCCCC2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
CHEMBL5193178 | 191429 | 0 | None | -12 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 7 | 0 | 4 | 4.4 | COc1ccccc1N1CCN(CC[C@@H](C(=O)N2CCCCCC2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
3649661 | 138194 | 7 | None | 23 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 3 | 3 | 7 | 2.2 | CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
CHEMBL3770106 | 138194 | 7 | None | 23 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 3 | 3 | 7 | 2.2 | CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
2247 | 504 | 81 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 504 | 81 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 504 | 81 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 504 | 81 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 504 | 81 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
11708275 | 72683 | 3 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 205 | 3 | 1 | 4 | 1.4 | COc1ccc2cnn(C[C@H](C)N)c2c1 | 10.1021/jm050663x | ||
CHEMBL199775 | 72683 | 3 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 205 | 3 | 1 | 4 | 1.4 | COc1ccc2cnn(C[C@H](C)N)c2c1 | 10.1021/jm050663x | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
11949710 | 199879 | 0 | None | -5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL594717 | 199879 | 0 | None | -5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
36906 | 104853 | 75 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm050663x | ||
CHEMBL31115 | 104853 | 75 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm050663x | ||
36906 | 104853 | 75 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm030205t | ||
CHEMBL31115 | 104853 | 75 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm030205t | ||
44573547 | 187608 | 0 | None | -11 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.6 | C[C@H](Cc1cccc(F)c1)Oc1nc(N2CCNC[C@H]2C)ncc1F | 10.1021/acs.jmedchem.2c00633 | ||
CHEMBL494948 | 187608 | 0 | None | -11 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.6 | C[C@H](Cc1cccc(F)c1)Oc1nc(N2CCNC[C@H]2C)ncc1F | 10.1021/acs.jmedchem.2c00633 | ||
9931534 | 34079 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL14255 | 34079 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
10623205 | 99039 | 0 | None | -12 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 445 | 3 | 1 | 3 | 5.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)c(C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL280465 | 99039 | 0 | None | -12 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 445 | 3 | 1 | 3 | 5.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)c(C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
10837468 | 162684 | 0 | None | -15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 455 | 3 | 1 | 4 | 5.3 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2 | 10.1021/jm990388c | ||
CHEMBL417082 | 162684 | 0 | None | -15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 455 | 3 | 1 | 4 | 5.3 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2 | 10.1021/jm990388c | ||
10622480 | 167012 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 6.1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
CHEMBL428879 | 167012 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 6.1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
44298176 | 100600 | 0 | None | -6 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccncc3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL291949 | 100600 | 0 | None | -6 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccncc3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
18357730 | 195886 | 0 | None | -19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL55914 | 195886 | 0 | None | -19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
44453103 | 98033 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 296 | 4 | 1 | 4 | 2.9 | CCN(CC)c1nc2c(c(-c3ccc(C)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL273173 | 98033 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 296 | 4 | 1 | 4 | 2.9 | CCN(CC)c1nc2c(c(-c3ccc(C)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
240 | 941 | 43 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
2769 | 941 | 43 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
44279790 | 941 | 43 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
660 | 941 | 43 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL1729 | 941 | 43 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL560739 | 941 | 43 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
DB00604 | 941 | 43 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
11737939 | 84198 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 2.1 | O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL220900 | 84198 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 2.1 | O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
118729268 | 120675 | 0 | None | -22 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402677 | 120675 | 0 | None | -22 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547138 | 120675 | 0 | None | -22 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
118729254 | 120682 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402669 | 120682 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547155 | 120682 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
16062136 | 157644 | 4 | None | -13 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 285 | 1 | 1 | 3 | 3.2 | CC(C)(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL408155 | 157644 | 4 | None | -13 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 285 | 1 | 1 | 3 | 3.2 | CC(C)(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
146159245 | 188426 | 30 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
451415 | 188426 | 30 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
86289437 | 188426 | 30 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
CHEMBL502620 | 188426 | 30 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
12613159 | 187302 | 11 | None | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
CHEMBL493054 | 187302 | 11 | None | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
10517285 | 120686 | 0 | None | -14 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402683 | 120686 | 0 | None | -14 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547176 | 120686 | 0 | None | -14 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
1224 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
3100 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
8980 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
916 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
CHEMBL657 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
DB01075 | 1420 | 83 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
122187381 | 123002 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 401 | 2 | 1 | 5 | 4.5 | COc1cc2c3c(c1O)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3609146 | 123002 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 401 | 2 | 1 | 5 | 4.5 | COc1cc2c3c(c1O)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
135465870 | 188967 | 8 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.6 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL508657 | 188967 | 8 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.6 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
155565326 | 175561 | 0 | None | -467 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 462 | 6 | 5 | 9 | 0.5 | O=C(NCCO)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4579650 | 175561 | 0 | None | -467 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 462 | 6 | 5 | 9 | 0.5 | O=C(NCCO)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
46914620 | 15401 | 0 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
CHEMBL1214962 | 15401 | 0 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
46230094 | 199288 | 0 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 237 | 0 | 2 | 3 | 0.8 | O=C1NC2CNCCN2c2ccc(Cl)cc21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590482 | 199288 | 0 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 237 | 0 | 2 | 3 | 0.8 | O=C1NC2CNCCN2c2ccc(Cl)cc21 | 10.1016/j.bmcl.2009.12.014 | ||
57403525 | 70125 | 0 | None | -478 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 361 | 6 | 1 | 2 | 4.8 | OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
CHEMBL1940402 | 70125 | 0 | None | -478 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 361 | 6 | 1 | 2 | 4.8 | OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
127051845 | 140704 | 0 | None | -42 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 3.7 | COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3817898 | 140704 | 0 | None | -42 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 3.7 | COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
4178 | 195780 | 63 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | nan | ||
CHEMBL558 | 195780 | 63 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | nan | ||
127051845 | 140704 | 0 | None | -42 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 3.7 | COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
CHEMBL3817898 | 140704 | 0 | None | -42 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 3.7 | COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
145986752 | 167252 | 0 | None | -1 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 562 | 10 | 1 | 5 | 7.3 | COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL4293307 | 167252 | 0 | None | -1 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 562 | 10 | 1 | 5 | 7.3 | COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2018.10.036 | ||
11695000 | 89042 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337490 | 89042 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365083 | 89042 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
118729276 | 120663 | 0 | None | -14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402682 | 120663 | 0 | None | -14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547045 | 120663 | 0 | None | -14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
134152157 | 153115 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 6 | 4 | 8 | 1.4 | CC[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3976579 | 153115 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 6 | 4 | 8 | 1.4 | CC[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
21830793 | 91806 | 10 | None | -489 | 46 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
CHEMBL2413154 | 91806 | 10 | None | -489 | 46 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
16115392 | 84768 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.7 | Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
CHEMBL223292 | 84768 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.7 | Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
11665991 | 199321 | 0 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CNCCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590721 | 199321 | 0 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CNCCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
222757 | 99348 | 73 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | ||
CHEMBL282575 | 99348 | 73 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | ||
2812 | 4747 | 101 | None | -40 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
CHEMBL104 | 4747 | 101 | None | -40 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
44407440 | 139281 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 329 | 5 | 1 | 3 | 4.7 | Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL379223 | 139281 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 329 | 5 | 1 | 3 | 4.7 | Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
24740863 | 89129 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | 10.1016/j.bmcl.2009.09.024 | ||
CHEMBL236610 | 89129 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | 10.1016/j.bmcl.2009.09.024 | ||
46214153 | 110668 | 0 | None | -6 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 5 | 1 | 3 | 4.0 | Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 | 10.1021/ml500082j | ||
CHEMBL3260334 | 110668 | 0 | None | -6 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 5 | 1 | 3 | 4.0 | Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 | 10.1021/ml500082j | ||
11221167 | 84651 | 0 | None | -10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL222514 | 84651 | 0 | None | -10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
CHEMBL4520788 | 213952 | 10 | None | -3 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | ||||
155535754 | 172051 | 0 | None | 13 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 301 | 1 | 1 | 4 | 1.2 | Cc1cccc(C)c1N1C(=O)CNC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
CHEMBL4472251 | 172051 | 0 | None | 13 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 301 | 1 | 1 | 4 | 1.2 | Cc1cccc(C)c1N1C(=O)CNC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
44404906 | 70241 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 218 | 3 | 2 | 2 | 2.4 | CC(Cc1c[nH]c2cccc(O)c12)N(C)C | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL194202 | 70241 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 218 | 3 | 2 | 2 | 2.4 | CC(Cc1c[nH]c2cccc(O)c12)N(C)C | 10.1016/j.bmcl.2005.06.104 | ||
24873261 | 183170 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 241 | 2 | 1 | 3 | 2.3 | CCn1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
CHEMBL4795756 | 183170 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 241 | 2 | 1 | 3 | 2.3 | CCn1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
16115644 | 136935 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL374436 | 136935 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
145964150 | 164282 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 3.1 | CCCCOc1ccc(C2=N[C@@H](CO)[C@H](C)S2)cc1 | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4212246 | 164282 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 3.1 | CCCCOc1ccc(C2=N[C@@H](CO)[C@H](C)S2)cc1 | 10.1021/acs.jnatprod.7b00317 | ||
118567543 | 171344 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 463 | 4 | 0 | 4 | 4.2 | O=C1N(c2cccnc2C(F)(F)F)CC2(CCN(CCc3ccccc3F)CC2)OC12CC2 | 10.1021/acs.jmedchem.9b01256 | ||
CHEMBL4461774 | 171344 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 463 | 4 | 0 | 4 | 4.2 | O=C1N(c2cccnc2C(F)(F)F)CC2(CCN(CCc3ccccc3F)CC2)OC12CC2 | 10.1021/acs.jmedchem.9b01256 | ||
88912137 | 110671 | 0 | None | -245 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 405 | 5 | 1 | 3 | 5.2 | C[C@@H](Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1cccc(C(F)(F)F)c1 | 10.1021/ml500082j | ||
CHEMBL3260337 | 110671 | 0 | None | -245 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 405 | 5 | 1 | 3 | 5.2 | C[C@@H](Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1cccc(C(F)(F)F)c1 | 10.1021/ml500082j | ||
122188580 | 123159 | 0 | None | -19 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 485 | 5 | 4 | 8 | 2.4 | CCCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acsmedchemlett.9b00637 | ||
CHEMBL3612941 | 123159 | 0 | None | -19 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 485 | 5 | 4 | 8 | 2.4 | CCCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acsmedchemlett.9b00637 | ||
71062889 | 148250 | 0 | None | -41 | 5 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 353 | 5 | 0 | 5 | 1.8 | O=C(CN1CCO[C@H](COc2cccnc2)C1)N1CCc2ccccc21 | nan | ||
CHEMBL3936595 | 148250 | 0 | None | -41 | 5 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 353 | 5 | 0 | 5 | 1.8 | O=C(CN1CCO[C@H](COc2cccnc2)C1)N1CCc2ccccc21 | nan | ||
44409096 | 76746 | 0 | None | -28 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 203 | 0 | 1 | 3 | 1.1 | Cc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL206845 | 76746 | 0 | None | -28 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 203 | 0 | 1 | 3 | 1.1 | Cc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
134138769 | 147646 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.7 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
CHEMBL3931747 | 147646 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.7 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
132559161 | 172998 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 7 | 2 | 7 | 1.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccoc2)N(C)C(=O)[C@H](Cc2ccoc2)NC(=O)[C@H](Cc2ccoc2)N(C)C1=O | 10.1039/C9MD00050J | ||
CHEMBL4518571 | 172998 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 7 | 2 | 7 | 1.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccoc2)N(C)C(=O)[C@H](Cc2ccoc2)NC(=O)[C@H](Cc2ccoc2)N(C)C1=O | 10.1039/C9MD00050J | ||
90181066 | 160139 | 0 | None | 9 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 3.1 | Cc1ccccc1OC[C@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
CHEMBL4109218 | 160139 | 0 | None | 9 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 3.1 | Cc1ccccc1OC[C@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
136118652 | 93024 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3cccc(Br)c23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442266 | 93024 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3cccc(Br)c23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
11673842 | 89059 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 264 | 2 | 2 | 2 | 2.1 | CCCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337498 | 89059 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 264 | 2 | 2 | 2 | 2.1 | CCCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365254 | 89059 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 264 | 2 | 2 | 2 | 2.1 | CCCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
11361103 | 91076 | 1 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2ccc(C(F)(F)F)cc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397900 | 91076 | 1 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2ccc(C(F)(F)F)cc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
18715554 | 74395 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cnccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL202656 | 74395 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cnccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
24826871 | 91083 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397907 | 91083 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
25122653 | 200504 | 0 | None | -17 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 440 | 3 | 2 | 5 | 4.1 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5c(Cl)cccc45)c3c2)CC1 | 10.1021/jm901674f | ||
CHEMBL598850 | 200504 | 0 | None | -17 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 440 | 3 | 2 | 5 | 4.1 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5c(Cl)cccc45)c3c2)CC1 | 10.1021/jm901674f | ||
136118638 | 76287 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058698 | 76287 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
136118730 | 76215 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cccc(Br)c12 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058407 | 76215 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cccc(Br)c12 | 10.1016/j.bmc.2013.09.011 | ||
71062567 | 160391 | 0 | None | 2 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 353 | 6 | 0 | 5 | 2.5 | Cc1ccnc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
CHEMBL4111349 | 160391 | 0 | None | 2 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 353 | 6 | 0 | 5 | 2.5 | Cc1ccnc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
54764239 | 68837 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 272 | 2 | 1 | 3 | 2.7 | CC/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
CHEMBL1922537 | 68837 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 272 | 2 | 1 | 3 | 2.7 | CC/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
11630623 | 89070 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337499 | 89070 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365399 | 89070 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
56649649 | 67828 | 0 | None | -93 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
CHEMBL1910140 | 67828 | 0 | None | -93 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
86221574 | 166663 | 2 | None | 9 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 5 | 2 | 2 | 3.4 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccccc2)CC1 | 10.1039/C8MD00204E | ||
CHEMBL4282117 | 166663 | 2 | None | 9 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 5 | 2 | 2 | 3.4 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccccc2)CC1 | 10.1039/C8MD00204E | ||
162674022 | 183197 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
CHEMBL4796102 | 183197 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
44299663 | 163102 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 3 | 2 | 3 | 3.9 | CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
CHEMBL417753 | 163102 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 3 | 2 | 3 | 3.9 | CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
10127939 | 72213 | 0 | None | -39 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL198171 | 72213 | 0 | None | -39 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
49850772 | 56369 | 0 | None | -501 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 397 | 5 | 0 | 5 | 4.1 | Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
CHEMBL1631545 | 56369 | 0 | None | -501 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 397 | 5 | 0 | 5 | 4.1 | Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
44298208 | 194663 | 0 | None | -39 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL53308 | 194663 | 0 | None | -39 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
18931357 | 206565 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
CHEMBL88894 | 206565 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
153287568 | 170961 | 0 | None | 15 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 217 | 0 | 1 | 2 | 2.5 | Cc1cc(C)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4456195 | 170961 | 0 | None | 15 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 217 | 0 | 1 | 2 | 2.5 | Cc1cc(C)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | ||
12017598 | 168093 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.4 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nn1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
CHEMBL432879 | 168093 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.4 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nn1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
21533446 | 70126 | 0 | None | -213 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 4.9 | OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
CHEMBL1940403 | 70126 | 0 | None | -213 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 4.9 | OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
117209964 | 186110 | 1 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4871980 | 186110 | 1 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
10194524 | 72523 | 0 | None | -63 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 7 | 0 | 5 | 3.0 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
CHEMBL199177 | 72523 | 0 | None | -63 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 7 | 0 | 5 | 3.0 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
49850567 | 56439 | 0 | None | -3981 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 452 | 6 | 1 | 6 | 4.0 | Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
CHEMBL1632217 | 56439 | 0 | None | -3981 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 452 | 6 | 1 | 6 | 4.0 | Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
44298142 | 101718 | 0 | None | -199 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
CHEMBL299726 | 101718 | 0 | None | -199 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
153287574 | 175223 | 0 | None | -10 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4572167 | 175223 | 0 | None | -10 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
10368126 | 86690 | 0 | None | -25 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 449 | 7 | 0 | 6 | 4.2 | COc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCCN3CCCCC3)c2)C1=O | 10.1016/j.bmcl.2006.10.034 | ||
CHEMBL231833 | 86690 | 0 | None | -25 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 449 | 7 | 0 | 6 | 4.2 | COc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCCN3CCCCC3)c2)C1=O | 10.1016/j.bmcl.2006.10.034 | ||
25164129 | 161136 | 0 | None | -1479 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
CHEMBL4088036 | 161136 | 0 | None | -1479 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
CHEMBL4117406 | 161136 | 0 | None | -1479 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
25056080 | 65660 | 0 | None | -407 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 342 | 3 | 1 | 3 | 2.3 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 | 10.1021/jm200466r | ||
CHEMBL1834345 | 65660 | 0 | None | -407 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 342 | 3 | 1 | 3 | 2.3 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 | 10.1021/jm200466r | ||
24826788 | 91069 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2c(Cl)cccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397893 | 91069 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2c(Cl)cccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
71657836 | 120671 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402673 | 120671 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547134 | 120671 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
135453290 | 133581 | 33 | None | -2 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL371300 | 133581 | 33 | None | -2 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
134551 | 357 | 27 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
271 | 357 | 27 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
885 | 357 | 27 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
CHEMBL1403281 | 357 | 27 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
30241 | 42014 | 16 | None | -8 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.2 | COc1ccc2[nH]cc(C(C)CN)c2c1 | 10.1021/jm980318q | ||
CHEMBL149564 | 42014 | 16 | None | -8 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.2 | COc1ccc2[nH]cc(C(C)CN)c2c1 | 10.1021/jm980318q | ||
11492162 | 72024 | 3 | None | 10 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 206 | 3 | 1 | 1 | 2.4 | CN(C)CCc1c[nH]c2cccc(F)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL197646 | 72024 | 3 | None | 10 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 206 | 3 | 1 | 1 | 2.4 | CN(C)CCc1c[nH]c2cccc(F)c12 | 10.1016/j.bmcl.2005.06.104 | ||
11615459 | 199225 | 0 | None | 10 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
CHEMBL590078 | 199225 | 0 | None | 10 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
135414348 | 72780 | 2 | None | -4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 205 | 2 | 2 | 4 | 1.4 | Cc1c(O)ccc2cnn(C[C@H](C)N)c12 | 10.1021/jm050663x | ||
CHEMBL200104 | 72780 | 2 | None | -4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 205 | 2 | 2 | 4 | 1.4 | Cc1c(O)ccc2cnn(C[C@H](C)N)c12 | 10.1021/jm050663x | ||
CHEMBL5082177 | 214769 | 0 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CCCN(CCC)Cc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
2726 | 916 | 68 | None | -19 | 73 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 916 | 68 | None | -19 | 73 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 916 | 68 | None | -19 | 73 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 916 | 68 | None | -19 | 73 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 916 | 68 | None | -19 | 73 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
122178698 | 121339 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 369 | 5 | 0 | 5 | 3.9 | CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL3581244 | 121339 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 369 | 5 | 0 | 5 | 3.9 | CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
10827035 | 120679 | 0 | None | -13 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402666 | 120679 | 0 | None | -13 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547152 | 120679 | 0 | None | -13 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
118729281 | 120658 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@H]1C[C@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3402686 | 120658 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@H]1C[C@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL3547018 | 120658 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@H]1C[C@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
44409316 | 74992 | 0 | None | -102 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL203393 | 74992 | 0 | None | -102 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
145965940 | 164174 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 273 | 2 | 2 | 4 | 2.8 | C[C@@H]1SC(c2cc3ccccc3cc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
CHEMBL4210787 | 164174 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 273 | 2 | 2 | 4 | 2.8 | C[C@@H]1SC(c2cc3ccccc3cc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
100 | 3776 | 58 | None | -11 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
2637 | 3776 | 58 | None | -11 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
5452 | 3776 | 58 | None | -11 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
CHEMBL479 | 3776 | 58 | None | -11 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
DB00679 | 3776 | 58 | None | -11 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
168277348 | 190275 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 8 | 0 | 5 | 5.4 | CCCCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5175973 | 190275 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 8 | 0 | 5 | 5.4 | CCCCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
155558726 | 174784 | 0 | None | -19 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
CHEMBL4562303 | 174784 | 0 | None | -19 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
3042 | 1402 | 35 | None | -39 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
355 | 1402 | 35 | None | -39 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
868 | 1402 | 35 | None | -39 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
CHEMBL1123 | 1402 | 35 | None | -39 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
DB00804 | 1402 | 35 | None | -39 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
122483275 | 138085 | 0 | None | -3 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 427 | 6 | 1 | 5 | 5.1 | O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
CHEMBL3764133 | 138085 | 0 | None | -3 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 427 | 6 | 1 | 5 | 5.1 | O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
CHEMBL3765875 | 138085 | 0 | None | -3 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 427 | 6 | 1 | 5 | 5.1 | O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
11949706 | 200032 | 0 | None | -11 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 359 | 4 | 1 | 4 | 3.4 | C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2 | 10.1016/j.bmcl.2009.10.112 | ||
CHEMBL595645 | 200032 | 0 | None | -11 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 359 | 4 | 1 | 4 | 3.4 | C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2 | 10.1016/j.bmcl.2009.10.112 | ||
3037629 | 184548 | 18 | None | 1 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 3.6 | C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
CHEMBL4848517 | 184548 | 18 | None | 1 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 3.6 | C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
130442572 | 171884 | 0 | None | -17 | 24 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4469848 | 171884 | 0 | None | -17 | 24 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
5591 | 157507 | 90 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | nan | ||
CHEMBL408 | 157507 | 90 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | nan | ||
21044398 | 141059 | 0 | None | -21 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 233 | 1 | 2 | 4 | 0.9 | C[C@H](O)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
CHEMBL382618 | 141059 | 0 | None | -21 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 233 | 1 | 2 | 4 | 0.9 | C[C@H](O)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
46945446 | 17730 | 0 | None | -5 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 408 | 9 | 0 | 5 | 4.6 | CCCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1 | 10.1016/j.bmcl.2010.07.135 | ||
CHEMBL1258723 | 17730 | 0 | None | -5 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 408 | 9 | 0 | 5 | 4.6 | CCCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1 | 10.1016/j.bmcl.2010.07.135 | ||
136118657 | 93027 | 0 | None | 12 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3c(Br)cccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442269 | 93027 | 0 | None | 12 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3c(Br)cccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
44451393 | 156648 | 1 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 1 | 1 | 2 | 2.0 | COc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL406957 | 156648 | 1 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 1 | 1 | 2 | 2.0 | COc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
11437171 | 83461 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 234 | 1 | 1 | 3 | 1.5 | CSc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
CHEMBL220207 | 83461 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 234 | 1 | 1 | 3 | 1.5 | CSc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
155558968 | 174794 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 432 | 3 | 2 | 5 | 3.2 | Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
CHEMBL4562437 | 174794 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 432 | 3 | 2 | 5 | 3.2 | Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
44572802 | 12412 | 2 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
CHEMBL1186019 | 12412 | 2 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
CHEMBL445747 | 12412 | 2 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
136016509 136118731 | 10929 | 0 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL1173331 | 10929 | 0 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmc.2013.09.011 | ||
3168 | 9230 | 92 | None | -107 | 22 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
CHEMBL1108 | 9230 | 92 | None | -107 | 22 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
71450550 | 83778 | 0 | None | -1 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205836 | 83778 | 0 | None | -1 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
1971 | 2846 | 38 | None | -4 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
2404 | 2846 | 38 | None | -4 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
4543 | 2846 | 38 | None | -4 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
CHEMBL445 | 2846 | 38 | None | -4 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
DB00540 | 2846 | 38 | None | -4 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
11300712 | 141661 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
CHEMBL385577 | 141661 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
59757162 | 106277 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)-c1ccccc1C2O | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3092761 | 106277 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)-c1ccccc1C2O | 10.1016/j.bmc.2013.10.010 | ||
CHEMBL3139074 | 106277 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)-c1ccccc1C2O | 10.1016/j.bmc.2013.10.010 | ||
1548953 | 207656 | 27 | None | -4 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
CHEMBL954 | 207656 | 27 | None | -4 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
5870 | 31630 | 92 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | nan | ||
CHEMBL1405 | 31630 | 92 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | nan | ||
6452095 | 40673 | 18 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.2 | CC(CN)c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
CHEMBL148463 | 40673 | 18 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.2 | CC(CN)c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
11493484 | 89041 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337106 | 89041 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2365079 | 89041 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
21509921 | 104431 | 0 | None | -8 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104091 | 104431 | 0 | None | -8 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
44554395 | 18691 | 0 | None | -54 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.0 | Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
CHEMBL1277565 | 18691 | 0 | None | -54 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.0 | Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
21509921 | 104431 | 0 | None | -8 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104091 | 104431 | 0 | None | -8 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
155565189 | 175541 | 0 | None | -6 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
CHEMBL4579120 | 175541 | 0 | None | -6 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
18735309 | 205410 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 262 | 2 | 1 | 2 | 2.6 | C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL80246 | 205410 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 262 | 2 | 1 | 2 | 2.6 | C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
53381002 | 65435 | 0 | None | 15 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 240 | 2 | 2 | 4 | 2.2 | COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 | 10.1016/j.bmc.2011.08.033 | ||
CHEMBL1829959 | 65435 | 0 | None | 15 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 240 | 2 | 2 | 4 | 2.2 | COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 | 10.1016/j.bmc.2011.08.033 | ||
56649650 | 67829 | 0 | None | -100 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
CHEMBL1910141 | 67829 | 0 | None | -100 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
71062530 | 160068 | 0 | None | -3 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 353 | 5 | 0 | 5 | 1.8 | O=C(CN1CCO[C@@H](COc2cccnc2)C1)N1CCc2ccccc21 | nan | ||
CHEMBL4108620 | 160068 | 0 | None | -3 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 353 | 5 | 0 | 5 | 1.8 | O=C(CN1CCO[C@@H](COc2cccnc2)C1)N1CCc2ccccc21 | nan | ||
44407327 | 141222 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 6 | 1 | 4 | 4.4 | COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
CHEMBL383042 | 141222 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 6 | 1 | 4 | 4.4 | COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
136118617 | 76220 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058416 | 76220 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
44315993 | 172853 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.1 | CSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
CHEMBL451543 | 172853 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.1 | CSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
44572810 | 12623 | 2 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
CHEMBL1187196 | 12623 | 2 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
CHEMBL493130 | 12623 | 2 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
11346775 | 83452 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
CHEMBL220157 | 83452 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
CHEMBL5094181 | 215457 | 22 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | O=C(NCCCn1ccnc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 | 10.6019/CHEMBL5058647 | ||||
132060776 | 162378 | 0 | None | -3 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4165863 | 162378 | 0 | None | -3 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
136118658 | 76225 | 0 | None | 2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058426 | 76225 | 0 | None | 2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL5094181 | 215457 | 22 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | O=C(NCCCn1ccnc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 | 10.6019/CHEMBL5058647 | ||||
13091356 | 113511 | 0 | None | -218 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 6 | 1 | 3 | 4.8 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
CHEMBL3321789 | 113511 | 0 | None | -218 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 6 | 1 | 3 | 4.8 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
118717223 | 120556 | 0 | None | -7 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 321 | 1 | 2 | 2 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3343671 | 120556 | 0 | None | -7 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 321 | 1 | 2 | 2 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
CHEMBL3545813 | 120556 | 0 | None | -7 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 321 | 1 | 2 | 2 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
46914485 | 15400 | 0 | None | 83 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
CHEMBL1214961 | 15400 | 0 | None | 83 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
44397731 | 67188 | 0 | None | -23 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 213 | 0 | 1 | 3 | 1.3 | C[C@@H]1CNC[C@H]2Cc3ccc(C#N)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL187888 | 67188 | 0 | None | -23 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 213 | 0 | 1 | 3 | 1.3 | C[C@@H]1CNC[C@H]2Cc3ccc(C#N)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
6319 | 23443 | 95 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 260 | 4 | 2 | 2 | 5.2 | c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 | nan | ||
CHEMBL1333512 | 23443 | 95 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 260 | 4 | 2 | 2 | 5.2 | c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 | nan | ||
44451369 | 96305 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 187 | 0 | 1 | 2 | 2.1 | c1cc2c3c(ccc2o1)CCNCC3 | 10.1016/j.bmc.2007.12.009 | ||
CHEMBL261489 | 96305 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 187 | 0 | 1 | 2 | 2.1 | c1cc2c3c(ccc2o1)CCNCC3 | 10.1016/j.bmc.2007.12.009 | ||
135753056 | 191151 | 2 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 337 | 4 | 2 | 5 | 2.4 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
CHEMBL5188949 | 191151 | 2 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 337 | 4 | 2 | 5 | 2.4 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
16062145 | 97630 | 0 | None | -223 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 269 | 2 | 1 | 3 | 2.8 | Fc1ccc(-c2nc(C3CC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
CHEMBL271111 | 97630 | 0 | None | -223 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 269 | 2 | 1 | 3 | 2.8 | Fc1ccc(-c2nc(C3CC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
11716185 | 89035 | 0 | None | -20 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2337497 | 89035 | 0 | None | -20 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
CHEMBL2364998 | 89035 | 0 | None | -20 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
10028436 | 3506 | 5 | None | -45 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 4.9 | Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2 | 10.1016/s0960-894x(02)00690-x | ||
3237 | 3506 | 5 | None | -45 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 4.9 | Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2 | 10.1016/s0960-894x(02)00690-x | ||
CHEMBL95104 | 3506 | 5 | None | -45 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 4.9 | Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2 | 10.1016/s0960-894x(02)00690-x | ||
25209705 | 181036 | 28 | None | -144 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 7 | 2 | 8 | 3.3 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)cc4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
CHEMBL475965 | 181036 | 28 | None | -144 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 7 | 2 | 8 | 3.3 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)cc4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
168294400 | 192456 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 423 | 5 | 0 | 5 | 5.2 | COc1cc2c(cc1OC)-c1c(OC)c(OC3CCCCC3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5208882 | 192456 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 423 | 5 | 0 | 5 | 5.2 | COc1cc2c(cc1OC)-c1c(OC)c(OC3CCCCC3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
118055296 | 177927 | 0 | None | -58 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 264 | 2 | 1 | 2 | 2.7 | c1ccc(Cc2ccc3c4c2CCN4CCNC3)cc1 | 10.1016/j.bmcl.2019.126929 | ||
CHEMBL4645736 | 177927 | 0 | None | -58 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 264 | 2 | 1 | 2 | 2.7 | c1ccc(Cc2ccc3c4c2CCN4CCNC3)cc1 | 10.1016/j.bmcl.2019.126929 | ||
122483281 | 138083 | 0 | None | -18 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 5.4 | COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
CHEMBL3763779 | 138083 | 0 | None | -18 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 5.4 | COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
CHEMBL3765873 | 138083 | 0 | None | -18 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 5.4 | COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
136118649 | 76293 | 0 | None | 2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058704 | 76293 | 0 | None | 2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
11819486 | 121123 | 0 | None | -4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | N[C@H]1C[C@@H]1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
CHEMBL357702 | 121123 | 0 | None | -4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | N[C@H]1C[C@@H]1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
58911668 | 91081 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
CHEMBL2397905 | 91081 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
162652711 | 180356 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 409 | 6 | 3 | 7 | 2.6 | CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CF)C[C@H]12)C1CC1 | 10.1016/j.bmcl.2020.127599 | ||
CHEMBL4751718 | 180356 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 409 | 6 | 3 | 7 | 2.6 | CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CF)C[C@H]12)C1CC1 | 10.1016/j.bmcl.2020.127599 | ||
71452341 | 83668 | 7 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 376 | 6 | 0 | 3 | 5.3 | Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12 | 10.1016/j.bmc.2012.09.044 | ||
CHEMBL2205361 | 83668 | 7 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 376 | 6 | 0 | 3 | 5.3 | Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12 | 10.1016/j.bmc.2012.09.044 | ||
11848625 | 5760 | 0 | None | 2 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | 10.1016/j.bmcl.2009.09.024 | ||
CHEMBL1078745 | 5760 | 0 | None | 2 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | 10.1016/j.bmcl.2009.09.024 | ||
136118614 | 93035 | 0 | None | 13 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2442276 | 93035 | 0 | None | 13 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
10106214 | 2091 | 1 | None | -46 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
1207 | 2091 | 1 | None | -46 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
1209 | 2091 | 1 | None | -46 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
CHEMBL127307 | 2091 | 1 | None | -46 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
6604117 | 187823 | 6 | None | 1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
CHEMBL2062340 | 187823 | 6 | None | 1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
CHEMBL49623 | 187823 | 6 | None | 1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
49864027 | 15385 | 0 | None | 25 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 8 | 0 | 4 | 4.8 | FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
CHEMBL1214891 | 15385 | 0 | None | 25 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 8 | 0 | 4 | 4.8 | FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
168279369 | 191109 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 397 | 6 | 0 | 5 | 4.6 | CCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
CHEMBL5188171 | 191109 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 397 | 6 | 0 | 5 | 4.6 | CCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
122186880 | 122954 | 0 | None | 4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 415 | 3 | 0 | 5 | 4.8 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
CHEMBL3608450 | 122954 | 0 | None | 4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 415 | 3 | 0 | 5 | 4.8 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
44554227 | 18718 | 0 | None | -33 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.0 | CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
CHEMBL1277837 | 18718 | 0 | None | -33 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.0 | CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
20824949 | 67166 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 1 | 2 | 3 | 1.4 | CC(=O)Nc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
CHEMBL187787 | 67166 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 1 | 2 | 3 | 1.4 | CC(=O)Nc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
667590 | 67765 | 12 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 3 | 0 | 1 | 4.4 | O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 | nan | ||
CHEMBL1909048 | 67765 | 12 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 3 | 0 | 1 | 4.4 | O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 | nan | ||
44582676 | 189755 | 0 | None | -7 | 17 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL516088 | 189755 | 0 | None | -7 | 17 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
135511529 135555540 | 10956 | 0 | None | 5 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.5 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccccc12 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL1173525 | 10956 | 0 | None | 5 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.5 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccccc12 | 10.1016/j.bmc.2013.09.011 | ||
136118661 | 76228 | 0 | None | 6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058429 | 76228 | 0 | None | 6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
44112 | 121264 | 48 | None | -11 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
CHEMBL357995 | 121264 | 48 | None | -11 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
124247485 | 164045 | 8 | None | 1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 231 | 1 | 2 | 2 | 1.9 | Fc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
CHEMBL4209274 | 164045 | 8 | None | 1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 231 | 1 | 2 | 2 | 1.9 | Fc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
155563428 | 175262 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 7 | 3 | 9 | 2.7 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4572905 | 175262 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 7 | 3 | 9 | 2.7 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
44581974 | 175680 | 0 | None | -1 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
CHEMBL458220 | 175680 | 0 | None | -1 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
25123013 | 200435 | 0 | None | -27 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 3 | 2 | 5 | 2.7 | NC1CN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
CHEMBL598443 | 200435 | 0 | None | -27 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 3 | 2 | 5 | 2.7 | NC1CN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
10383646 | 18730 | 0 | None | -512 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 3 | 1 | 5 | 2.1 | CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4)c3c2)CC1 | 10.1021/jm1007825 | ||
CHEMBL1277917 | 18730 | 0 | None | -512 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 3 | 1 | 5 | 2.1 | CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4)c3c2)CC1 | 10.1021/jm1007825 | ||
71450247 | 82947 | 0 | None | -19 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 5.5 | CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
CHEMBL2181188 | 82947 | 0 | None | -19 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 5.5 | CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
44404905 | 72351 | 1 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 218 | 4 | 2 | 2 | 2.4 | CN(C)CCCc1c[nH]c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
CHEMBL198617 | 72351 | 1 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 218 | 4 | 2 | 2 | 2.4 | CN(C)CCCc1c[nH]c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
17683252 | 67767 | 3 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 347 | 3 | 0 | 1 | 4.8 | O=C(c1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 | nan | ||
CHEMBL1909051 | 67767 | 3 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 347 | 3 | 0 | 1 | 4.8 | O=C(c1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 | nan | ||
142601328 | 184979 | 0 | None | -63 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 276 | 2 | 2 | 3 | 2.5 | Clc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4854605 | 184979 | 0 | None | -63 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 276 | 2 | 2 | 3 | 2.5 | Clc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
142601341 | 185348 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
CHEMBL4860503 | 185348 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
56649648 | 67826 | 0 | None | -301 | 8 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
CHEMBL1910139 | 67826 | 0 | None | -301 | 8 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
136118616 | 76219 | 0 | None | 3 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058415 | 76219 | 0 | None | 3 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C | 10.1016/j.bmc.2013.09.011 | ||
136118646 | 76290 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
CHEMBL2058701 | 76290 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
3007 | 155661 | 27 | None | -1 | 6 | Rat | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 135 | 2 | 1 | 1 | 1.6 | CC(N)Cc1ccccc1 | None | ||
CHEMBL405 | 155661 | 27 | None | -1 | 6 | Rat | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 135 | 2 | 1 | 1 | 1.6 | CC(N)Cc1ccccc1 | None | ||
10615 | 570 | 32 | None | 501 | 4 | Human | 11.6 | pKd | = | 11.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
46200932 | 570 | 32 | None | 501 | 4 | Human | 11.6 | pKd | = | 11.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
CHEMBL4297183 | 570 | 32 | None | 501 | 4 | Human | 11.6 | pKd | = | 11.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
DB14823 | 570 | 32 | None | 501 | 4 | Human | 11.6 | pKd | = | 11.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
136 | 3267 | 32 | None | -8 | 16 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
223 | 3267 | 32 | None | -8 | 16 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
643606 | 3267 | 32 | None | -8 | 16 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
CHEMBL10347 | 3267 | 32 | None | -8 | 16 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
134 | 2497 | 24 | 3H- LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
134 | 2497 | 24 | 3H-LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H- LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H- LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H- LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H- LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
188 | 3366 | 80 | 3H-5HT | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
196968 | 3366 | 80 | 3H-5HT | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
CHEMBL473186 | 3366 | 80 | 3H-5HT | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
242 | 469 | 124 | 3H-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
242 | 469 | 124 | [3H]-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 469 | 124 | 3H-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 469 | 124 | [3H]-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 469 | 124 | 3H-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 469 | 124 | [3H]-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 469 | 124 | 3H-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 469 | 124 | [3H]-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 469 | 124 | 3H-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 469 | 124 | [3H]-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
134 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
5074 | 3307 | 80 | 3H-RAUWOLSCINE | -2 | 30 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-RAUWOLSCINE | -2 | 30 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-RAUWOLSCINE | -2 | 30 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-RAUWOLSCINE | -2 | 30 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
None | 216026 | 0 | 3H-5HT | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 339 | 4 | 3 | 3 | 1.9 | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C | None | ||
None | 216026 | 0 | 3H-5HT | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 339 | 4 | 3 | 3 | 1.9 | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C | None | ||
107 | 141 | 121 | 3H-5HT | -4 | 31 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
1833 | 141 | 121 | 3H-5HT | -4 | 31 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
CHEMBL8165 | 141 | 121 | 3H-5HT | -4 | 31 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
None | 216354 | 0 | 3H-MESULERGINE | 5 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 342 | 4 | 3 | 4 | 2.5 | CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O | None | ||
4106 | 2485 | 22 | 3H-RAUWOLSCINE | -3 | 34 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
5358812 | 2485 | 22 | 3H-RAUWOLSCINE | -3 | 34 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
89 | 2485 | 22 | 3H-RAUWOLSCINE | -3 | 34 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
CHEMBL93240 | 2485 | 22 | 3H-RAUWOLSCINE | -3 | 34 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
134 | 2497 | 24 | 3H-RAUWOLSCINE | -2 | 68 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-RAUWOLSCINE | -2 | 68 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-RAUWOLSCINE | -2 | 68 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-RAUWOLSCINE | -2 | 68 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-RAUWOLSCINE | -2 | 68 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
133 | 2479 | 52 | 3H-MESULERGINE | -2 | 43 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
1723 | 2479 | 52 | 3H-MESULERGINE | -2 | 43 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
28693 | 2479 | 52 | 3H-MESULERGINE | -2 | 43 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
CHEMBL19215 | 2479 | 52 | 3H-MESULERGINE | -2 | 43 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
DB13520 | 2479 | 52 | 3H-MESULERGINE | -2 | 43 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
133 | 2479 | 52 | 3H-5HT | -2 | 43 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
1723 | 2479 | 52 | 3H-5HT | -2 | 43 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
28693 | 2479 | 52 | 3H-5HT | -2 | 43 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
CHEMBL19215 | 2479 | 52 | 3H-5HT | -2 | 43 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
DB13520 | 2479 | 52 | 3H-5HT | -2 | 43 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
6437377 | 215929 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 500 | 6 | 3 | 7 | 3.2 | CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
5 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
2470 | 3626 | 50 | 3H-KETANSERIN | -23 | 60 | Bovine | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-KETANSERIN | -23 | 60 | Bovine | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-KETANSERIN | -23 | 60 | Bovine | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-KETANSERIN | -23 | 60 | Bovine | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-KETANSERIN | -23 | 60 | Bovine | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
None | 216026 | 0 | Functional | -2 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 339 | 4 | 3 | 3 | 1.9 | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C | None | ||
1342 | 36 | 49 | 3H-RAUWOLSCINE | 2 | 19 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
3 | 36 | 49 | 3H-RAUWOLSCINE | 2 | 19 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
CHEMBL277120 | 36 | 49 | 3H-RAUWOLSCINE | 2 | 19 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
None | 216354 | 0 | Functional | 5 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 342 | 4 | 3 | 4 | 2.5 | CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O | None | ||
1621 | 2413 | 17 | 3H-5HT | -19 | 45 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
17 | 2413 | 17 | 3H-5HT | -19 | 45 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
5761 | 2413 | 17 | 3H-5HT | -19 | 45 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL263881 | 2413 | 17 | 3H-5HT | -19 | 45 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB04829 | 2413 | 17 | 3H-5HT | -19 | 45 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
5 | 139 | 72 | Functional | -13 | 55 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | Functional | -13 | 55 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | Functional | -13 | 55 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | Functional | -13 | 55 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5074 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
1588 | 2311 | 27 | 3H-5HT | -6 | 44 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
28864 | 2311 | 27 | 3H-5HT | -6 | 44 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
43 | 2311 | 27 | 3H-5HT | -6 | 44 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL157138 | 2311 | 27 | 3H-5HT | -6 | 44 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB00589 | 2311 | 27 | 3H-5HT | -6 | 44 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
188 | 3366 | 80 | 3H-5HT | -1 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
196968 | 3366 | 80 | 3H-5HT | -1 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
CHEMBL473186 | 3366 | 80 | 3H-5HT | -1 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
None | 216423 | 0 | Functional | 1 | 28 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
5 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
None | 216315 | 0 | 3H-MESULERGINE | -1 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | ||
103 | 4122 | 61 | 3H-LSD | 1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4122 | 61 | 3H-LSD | 1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4122 | 61 | 3H-LSD | 1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4122 | 61 | 3H-LSD | 1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4122 | 61 | 3H-LSD | 1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5074 | 3307 | 80 | 3H-MESULERGINE | -2 | 30 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-MESULERGINE | -2 | 30 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-MESULERGINE | -2 | 30 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-MESULERGINE | -2 | 30 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
189 | 3466 | 39 | UNDEFINED | 2 | 17 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
5163 | 3466 | 39 | UNDEFINED | 2 | 17 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
CHEMBL297784 | 3466 | 39 | UNDEFINED | 2 | 17 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
11954224 | 215928 | 0 | 3H-5HT | -66 | 60 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
1588 | 2311 | 27 | 3H-MESULERGINE | -6 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
28864 | 2311 | 27 | 3H-MESULERGINE | -6 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
43 | 2311 | 27 | 3H-MESULERGINE | -6 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL157138 | 2311 | 27 | 3H-MESULERGINE | -6 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB00589 | 2311 | 27 | 3H-MESULERGINE | -6 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
1588 | 2311 | 27 | 3H-MESULERGINE | -6 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
28864 | 2311 | 27 | 3H-MESULERGINE | -6 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
43 | 2311 | 27 | 3H-MESULERGINE | -6 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL157138 | 2311 | 27 | 3H-MESULERGINE | -6 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB00589 | 2311 | 27 | 3H-MESULERGINE | -6 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
2435 | 3563 | 83 | 3H-LSD | -2 | 49 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
60149 | 3563 | 83 | 3H-LSD | -2 | 49 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
98 | 3563 | 83 | 3H-LSD | -2 | 49 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
CHEMBL12713 | 3563 | 83 | 3H-LSD | -2 | 49 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
DB06144 | 3563 | 83 | 3H-LSD | -2 | 49 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
11957541 | 1446 | 40 | Functional | -2 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | Functional | -2 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | Functional | -2 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | Functional | -2 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | Functional | -2 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
206 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
68848 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
CHEMBL12314 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
134 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
6437377 | 215929 | 0 | 3H-5HT | 5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 500 | 6 | 3 | 7 | 3.2 | CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
277 | 1289 | 62 | 3H-5HT | -5 | 46 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
2913 | 1289 | 62 | 3H-5HT | -5 | 46 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
765 | 1289 | 62 | 3H-5HT | -5 | 46 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
CHEMBL516 | 1289 | 62 | 3H-5HT | -5 | 46 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
DB00434 | 1289 | 62 | 3H-5HT | -5 | 46 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
4106 | 2485 | 22 | 3H-5HT | -3 | 34 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
5358812 | 2485 | 22 | 3H-5HT | -3 | 34 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
89 | 2485 | 22 | 3H-5HT | -3 | 34 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
CHEMBL93240 | 2485 | 22 | 3H-5HT | -3 | 34 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
135 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
134 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
6437377 | 215929 | 0 | 3H-5HT | 5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 500 | 6 | 3 | 7 | 3.2 | CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
5074 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
134 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
5074 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
133 | 2479 | 52 | 3H-5HT | -2 | 43 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
1723 | 2479 | 52 | 3H-5HT | -2 | 43 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
28693 | 2479 | 52 | 3H-5HT | -2 | 43 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
CHEMBL19215 | 2479 | 52 | 3H-5HT | -2 | 43 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
DB13520 | 2479 | 52 | 3H-5HT | -2 | 43 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
11954224 | 215928 | 0 | 3H- LSD | -66 | 60 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
11954224 | 215928 | 0 | 3H-LSD | -66 | 60 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
206 | 2476 | 16 | 3H-RAUWOLSCINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
68848 | 2476 | 16 | 3H-RAUWOLSCINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
CHEMBL12314 | 2476 | 16 | 3H-RAUWOLSCINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
206 | 2476 | 16 | 3H-MESULERGINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
68848 | 2476 | 16 | 3H-MESULERGINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
CHEMBL12314 | 2476 | 16 | 3H-MESULERGINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
199 | 391 | 0 | 3H-5HT | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
9821951 | 391 | 0 | 3H-5HT | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
CHEMBL160293 | 391 | 0 | 3H-5HT | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
5 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
135398737 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
152 | 363 | 29 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
2107 | 363 | 29 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
CHEMBL275854 | 363 | 29 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
152 | 363 | 29 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
2107 | 363 | 29 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
CHEMBL275854 | 363 | 29 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
7153 | 97992 | 77 | 3H-RAUWOLSCINE | -1 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-RAUWOLSCINE | -1 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
199 | 391 | 0 | 3H-5HT | -5 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
9821951 | 391 | 0 | 3H-5HT | -5 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
CHEMBL160293 | 391 | 0 | 3H-5HT | -5 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
11957541 | 1446 | 40 | 3H-KETANSERIN | -16 | 16 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | 3H-KETANSERIN | -16 | 16 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | 3H-KETANSERIN | -16 | 16 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | 3H-KETANSERIN | -16 | 16 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | 3H-KETANSERIN | -16 | 16 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1614 | 203632 | 24 | Functional | 2 | 10 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL6731 | 203632 | 24 | Functional | 2 | 10 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | None | ||
24840389 | 115187 | 4 | 3H-MESULERGINE | -741 | 16 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 415 | 9 | 0 | 4 | 4.6 | CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 | None | ||
CHEMBL334529 | 115187 | 4 | 3H-MESULERGINE | -741 | 16 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 415 | 9 | 0 | 4 | 4.6 | CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 | None | ||
1809 | 134 | 32 | 3H-KETANSERIN | -109647 | 37 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
4 | 134 | 32 | 3H-KETANSERIN | -109647 | 37 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
CHEMBL18840 | 134 | 32 | 3H-KETANSERIN | -109647 | 37 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
1209 | 1645 | 75 | 3H-5HT | -199 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
203 | 1645 | 75 | 3H-5HT | -199 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
3386 | 1645 | 75 | 3H-5HT | -199 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
CHEMBL41 | 1645 | 75 | 3H-5HT | -199 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
DB00472 | 1645 | 75 | 3H-5HT | -199 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
1357 | 2468 | 139 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
1672 | 2468 | 139 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
224 | 2468 | 139 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
896 | 2468 | 139 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
CHEMBL45 | 2468 | 139 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
DB01065 | 2468 | 139 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
13139 | 2474 | 29 | 3H-KETANSERIN | -66 | 8 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 5 | 1 | 4 | 1.2 | COC1=CC(=CC(=C1OC)OC)CCN | None | ||
4076 | 2474 | 29 | 3H-KETANSERIN | -66 | 8 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 5 | 1 | 4 | 1.2 | COC1=CC(=CC(=C1OC)OC)CCN | None | ||
CHEMBL26687 | 2474 | 29 | 3H-KETANSERIN | -66 | 8 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 5 | 1 | 4 | 1.2 | COC1=CC(=CC(=C1OC)OC)CCN | None | ||
107992 | 2536 | 49 | 3H-5HT | -5 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
165 | 2536 | 49 | 3H-5HT | -5 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
CHEMBL269521 | 2536 | 49 | 3H-5HT | -5 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
DB12111 | 2536 | 49 | 3H-5HT | -5 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
208 | 2843 | 0 | 3H-5HT | -69 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
4541 | 2843 | 0 | 3H-5HT | -69 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
CHEMBL1494 | 2843 | 0 | 3H-5HT | -69 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
119570 | 3137 | 96 | 3H-LSD | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
119570 | 3137 | 96 | 3H-MESULERGINE | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2233 | 3137 | 96 | 3H-LSD | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2233 | 3137 | 96 | 3H-MESULERGINE | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
953 | 3137 | 96 | 3H-LSD | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
953 | 3137 | 96 | 3H-MESULERGINE | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
CHEMBL301265 | 3137 | 96 | 3H-LSD | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
CHEMBL301265 | 3137 | 96 | 3H-MESULERGINE | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
DB00413 | 3137 | 96 | 3H-LSD | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
DB00413 | 3137 | 96 | 3H-MESULERGINE | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
243 | 3180 | 91 | 3H-5HT | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
3052762 | 3180 | 91 | 3H-5HT | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
3502 | 3180 | 91 | 3H-5HT | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
CHEMBL117287 | 3180 | 91 | 3H-5HT | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
DB06480 | 3180 | 91 | 3H-5HT | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
2 | 3237 | 23 | 3H-MESULERGINE | -363 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
54562 | 3237 | 23 | 3H-MESULERGINE | -363 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
CHEMBL240773 | 3237 | 23 | 3H-MESULERGINE | -363 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
128563 | 3438 | 33 | 3H-LSD | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
1666 | 3438 | 33 | 3H-LSD | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
CHEMBL445332 | 3438 | 33 | 3H-LSD | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
DB12327 | 3438 | 33 | 3H-LSD | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
2470 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
2543 | 3681 | 68 | 3H-5HT | -2818 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
2543 | 3681 | 68 | 3H-5HT | -2818 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
5358 | 3681 | 68 | 3H-5HT | -2818 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
5358 | 3681 | 68 | 3H-5HT | -2818 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
54 | 3681 | 68 | 3H-5HT | -2818 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
54 | 3681 | 68 | 3H-5HT | -2818 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
CHEMBL128 | 3681 | 68 | 3H-5HT | -2818 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
CHEMBL128 | 3681 | 68 | 3H-5HT | -2818 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
DB00669 | 3681 | 68 | 3H-5HT | -2818 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
DB00669 | 3681 | 68 | 3H-5HT | -2818 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
46882133 | 5776 | 0 | UNDEFINED | -54 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 478 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC | None | ||
CHEMBL1078896 | 5776 | 0 | UNDEFINED | -54 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 478 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC | None | ||
46882180 | 5809 | 0 | UNDEFINED | -39 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 482 | 7 | 2 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F | None | ||
CHEMBL1079180 | 5809 | 0 | UNDEFINED | -39 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 482 | 7 | 2 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F | None | ||
2662 | 11352 | 131 | 3H-LSD | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
CHEMBL118 | 11352 | 131 | 3H-LSD | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
10836 | 14435 | 14 | 3H-LSD | -3 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
CHEMBL1201201 | 14435 | 14 | 3H-LSD | -3 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
5090 | 15529 | 106 | 3H-LSD | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | ||
CHEMBL122 | 15529 | 106 | 3H-LSD | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | ||
5210 | 33308 | 48 | 3H-5HT | -123 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | None | ||
CHEMBL1200765 | 33308 | 48 | 3H-5HT | -123 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | None | ||
CHEMBL1419 | 33308 | 48 | 3H-5HT | -123 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | None | ||
156391 | 46770 | 99 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
CHEMBL1200806 | 46770 | 99 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
CHEMBL154 | 46770 | 99 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
4771 | 50500 | 29 | 3H-5HT | 1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 1 | 2.0 | CC(C)(N)Cc1ccccc1 | None | ||
CHEMBL1574 | 50500 | 29 | 3H-5HT | 1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 1 | 2.0 | CC(C)(N)Cc1ccccc1 | None | ||
2244 | 94204 | 100 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
CHEMBL25 | 94204 | 100 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
104870 | 98852 | 47 | 3H-MESULERGINE | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98852 | 47 | 3H-MESULERGINE | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98852 | 47 | 3H-MESULERGINE | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
43815 | 186896 | 64 | 3H-5HT | -1995 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
CHEMBL1708 | 186896 | 64 | 3H-5HT | -1995 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
CHEMBL490 | 186896 | 64 | 3H-5HT | -1995 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
3672 | 192509 | 136 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | ||
CHEMBL521 | 192509 | 136 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | ||
54676228 | 193591 | 112 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
CHEMBL527 | 193591 | 112 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
4495 | 196512 | 92 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
CHEMBL56367 | 196512 | 92 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
54677470 | 200528 | 115 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
CHEMBL1256873 | 200528 | 115 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
CHEMBL599 | 200528 | 115 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
5281600 | 203002 | 92 | 3H-LSD | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
CHEMBL63354 | 203002 | 92 | 3H-LSD | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
5656 | 203043 | 87 | 3H-5HT | -79 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
CHEMBL637 | 203043 | 87 | 3H-5HT | -79 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
3821 | 204695 | 17 | 3H-LSD | -1 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 237 | 2 | 1 | 2 | 2.9 | CNC1(c2ccccc2Cl)CCCCC1=O | None | ||
CHEMBL742 | 204695 | 17 | 3H-LSD | -1 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 237 | 2 | 1 | 2 | 2.9 | CNC1(c2ccccc2Cl)CCCCC1=O | None | ||
4158 | 205318 | 21 | 3H-5HT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL1722 | 205318 | 21 | 3H-5HT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL796 | 205318 | 21 | 3H-5HT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
4054 | 205478 | 72 | 3H-LSD | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
CHEMBL1699 | 205478 | 72 | 3H-LSD | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
CHEMBL807 | 205478 | 72 | 3H-LSD | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
6852400 | 215914 | 0 | 3H-KETANSERIN | -25118 | 22 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O | None | ||
73759726 | 215914 | 0 | 3H-KETANSERIN | -25118 | 22 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O | None | ||
None | 216316 | 0 | 3H-MESULERGINE | -1862 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCCC2C1CC3=CN=C(N=C3C2)N | None | ||
135269 | 216363 | 0 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | ||
23681059 | 216364 | 0 | 3H-LSD | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | ||
5018304 | 216365 | 0 | 3H-LSD | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | ||
84003 | 216366 | 0 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | ||
123619 | 216367 | 0 | 3H-LSD | -1412 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | ||
119828 | 216368 | 0 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | ||
None | 216369 | 0 | 3H-LSD | -7 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | ||
None | 216424 | 0 | 3H-5HT | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 4 | 1 | 1 | 4.6 | CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N.Cl | None | ||
None | 216462 | 0 | 3H-LSD | -4570 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | ||
1150 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
125 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
CHEMBL6640 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
DB08653 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
185 | 3975 | 60 | 3H-5HT | -2344 | 38 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
5311271 | 3975 | 60 | 3H-5HT | -2344 | 38 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
CHEMBL74355 | 3975 | 60 | 3H-5HT | -2344 | 38 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
DB16351 | 3975 | 60 | 3H-5HT | -2344 | 38 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
62787 | 206165 | 21 | 3H-5HT | -10 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
CHEMBL8642 | 206165 | 21 | 3H-5HT | -10 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
None | 216109 | 0 | 3H-LSD | -1122 | 24 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 772 | 16 | 4 | 10 | 5.5 | CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O | None | ||
102 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
141 | 1415 | 35 | 3H-LSD | -1 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
6089 | 1415 | 35 | 3H-LSD | -1 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
CHEMBL12420 | 1415 | 35 | 3H-LSD | -1 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
DB01488 | 1415 | 35 | 3H-LSD | -1 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
3668 | 216096 | 0 | 3H-LSD | -977 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O | None | ||
146 | 135 | 85 | 3H-5HT | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
164682 | 135 | 85 | 3H-5HT | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
CHEMBL275628 | 135 | 85 | 3H-5HT | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
1621 | 2413 | 17 | 3H-KETANSERIN | -35 | 45 | Bovine | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
17 | 2413 | 17 | 3H-KETANSERIN | -35 | 45 | Bovine | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
5761 | 2413 | 17 | 3H-KETANSERIN | -35 | 45 | Bovine | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL263881 | 2413 | 17 | 3H-KETANSERIN | -35 | 45 | Bovine | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB04829 | 2413 | 17 | 3H-KETANSERIN | -35 | 45 | Bovine | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
15897 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
15897 | 2840 | 0 | 3H-5-HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
15897 | 2840 | 0 | 3H-5HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-5-HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-5HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-5-HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-5HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
5 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
152 | 363 | 29 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
2107 | 363 | 29 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
CHEMBL275854 | 363 | 29 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
135398745 | 2893 | 112 | 3H-5HT | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2893 | 112 | 3H-5HT | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2893 | 112 | 3H-5HT | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2893 | 112 | 3H-5HT | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
152 | 363 | 29 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
2107 | 363 | 29 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
CHEMBL275854 | 363 | 29 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
45486902 | 196923 | 0 | UNDEFINED | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 449 | 5 | 2 | 4 | 4.6 | O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | None | ||
CHEMBL566396 | 196923 | 0 | UNDEFINED | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 449 | 5 | 2 | 4 | 4.6 | O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | None | ||
1150 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
125 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
CHEMBL6640 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
DB08653 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
1150 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
125 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
CHEMBL6640 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
DB08653 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
77590 | 215930 | 0 | 3H-5HT | -15 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 124 | 4 | 0 | 2 | 0.8 | COCCOCCl | None | ||
2389 | 3306 | 118 | 35S-GTPGammaS | -66 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3306 | 118 | 35S-GTPGammaS | -66 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3306 | 118 | 35S-GTPGammaS | -66 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3306 | 118 | 35S-GTPGammaS | -66 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3306 | 118 | 35S-GTPGammaS | -66 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
542051 | 206077 | 6 | 3H-5HT | -128 | 7 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 237 | 6 | 1 | 3 | 2.5 | CCCc1cc(OC)c(CC(C)N)cc1OC | None | ||
CHEMBL8569 | 206077 | 6 | 3H-5HT | -128 | 7 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 237 | 6 | 1 | 3 | 2.5 | CCCc1cc(OC)c(CC(C)N)cc1OC | None | ||
1809 | 134 | 32 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
4 | 134 | 32 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
CHEMBL18840 | 134 | 32 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
5 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
199 | 391 | 0 | 3H-5HT | -5 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
9821951 | 391 | 0 | 3H-5HT | -5 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
CHEMBL160293 | 391 | 0 | 3H-5HT | -5 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
135398745 | 2893 | 112 | 35S-GTPGammaS | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2893 | 112 | 35S-GTPGammaS | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2893 | 112 | 35S-GTPGammaS | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2893 | 112 | 35S-GTPGammaS | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
135 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
7153 | 97992 | 77 | 3H-MESULERGINE | -1 | 34 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-MESULERGINE | -1 | 34 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
134 | 2497 | 24 | 125I-DOI | -10 | 68 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 125I-DOI | -10 | 68 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 125I-DOI | -10 | 68 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 125I-DOI | -10 | 68 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 125I-DOI | -10 | 68 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
None | 216423 | 0 | Functional | -1 | 28 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
None | 216423 | 0 | UNDEFINED | -1 | 28 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
None | 215922 | 0 | 3H-KETANSERIN | -851 | 24 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
2202 | 3110 | 96 | 3H-MESULERGINE | -6 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
4850 | 3110 | 96 | 3H-MESULERGINE | -6 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
49 | 3110 | 96 | 3H-MESULERGINE | -6 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL1371770 | 3110 | 96 | 3H-MESULERGINE | -6 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
DB12478 | 3110 | 96 | 3H-MESULERGINE | -6 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
221 | 3465 | 71 | 3H-5HT | -4 | 14 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
3277600 | 3465 | 71 | 3H-5HT | -4 | 14 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
CHEMBL323356 | 3465 | 71 | 3H-5HT | -4 | 14 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
5 | 139 | 72 | 125I-DOI | -2951 | 55 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 125I-DOI | -2951 | 55 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 125I-DOI | -2951 | 55 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 125I-DOI | -2951 | 55 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
1809 | 134 | 32 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
4 | 134 | 32 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
CHEMBL18840 | 134 | 32 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
173 | 3238 | 95 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
5011 | 3238 | 95 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
CHEMBL18772 | 3238 | 95 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
None | 216188 | 0 | 3H-5HT | -120 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 438 | 5 | 1 | 4 | 4.8 | C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=NC5=CC=CC=C45 | None | ||
179 | 399 | 115 | 3H-LSD | -17 | 51 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
2159 | 399 | 115 | 3H-LSD | -17 | 51 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
963 | 399 | 115 | 3H-LSD | -17 | 51 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
CHEMBL243712 | 399 | 115 | 3H-LSD | -17 | 51 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
DB06288 | 399 | 115 | 3H-LSD | -17 | 51 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
77379 | 19014 | 75 | 3H-5HT | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 1 | 2.3 | NCCc1c[nH]c2ccc(Cl)cc12 | None | ||
CHEMBL1288716 | 19014 | 75 | 3H-5HT | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 1 | 2.3 | NCCc1c[nH]c2ccc(Cl)cc12 | None | ||
102 | 4096 | 48 | 3H-RAUWOLSCINE | -93 | 50 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-RAUWOLSCINE | -93 | 50 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-RAUWOLSCINE | -93 | 50 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-RAUWOLSCINE | -93 | 50 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-RAUWOLSCINE | -93 | 50 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
5 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
77158 | 19015 | 56 | 3H-5HT | 2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
CHEMBL1288717 | 19015 | 56 | 3H-5HT | 2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
None | 217442 | 0 | UNDEFINED | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 421 | 4 | 3 | 4 | 3.3 | C1CC2=C(CC1CNCC3COC4=C(O3)C=CC5=C4CC(=O)N5)C6=C(N2)C=CC(=C6)F | None | ||
145 | 140 | 49 | 3H-KETANSERIN | -251 | 30 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
1832 | 140 | 49 | 3H-KETANSERIN | -251 | 30 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
CHEMBL7257 | 140 | 49 | 3H-KETANSERIN | -251 | 30 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
DB14010 | 140 | 49 | 3H-KETANSERIN | -251 | 30 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
1150 | 3849 | 121 | 3H-KETANSERIN | -56 | 25 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
125 | 3849 | 121 | 3H-KETANSERIN | -56 | 25 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
CHEMBL6640 | 3849 | 121 | 3H-KETANSERIN | -56 | 25 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
DB08653 | 3849 | 121 | 3H-KETANSERIN | -56 | 25 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
173 | 3238 | 95 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
5011 | 3238 | 95 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
CHEMBL18772 | 3238 | 95 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
25058166 | 215935 | 0 | 3H-MESULERGINE | -66 | 27 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
6852389 | 215935 | 0 | 3H-MESULERGINE | -66 | 27 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
2470 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
2470 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
None | 215922 | 0 | 3H-5HT | -33 | 24 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
130 | 3474 | 47 | 3H-5HT | -478 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
3378093 | 3474 | 47 | 3H-5HT | -478 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
CHEMBL281350 | 3474 | 47 | 3H-5HT | -478 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
240 | 941 | 43 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
2769 | 941 | 43 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
44279790 | 941 | 43 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
660 | 941 | 43 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL1729 | 941 | 43 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL560739 | 941 | 43 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
DB00604 | 941 | 43 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
2105 | 3032 | 37 | 3H-LSD | -28 | 33 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
47811 | 3032 | 37 | 3H-LSD | -28 | 33 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
48 | 3032 | 37 | 3H-LSD | -28 | 33 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
CHEMBL531 | 3032 | 37 | 3H-LSD | -28 | 33 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
DB01186 | 3032 | 37 | 3H-LSD | -28 | 33 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
138107169 | 215927 | 0 | 3H-5HT | -33 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 215927 | 0 | 3H-5HT | -33 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
186 | 1794 | 52 | 3H-LSD | -426 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
71781 | 1794 | 52 | 3H-LSD | -426 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
CHEMBL18972 | 1794 | 52 | 3H-LSD | -426 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
1353 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
None | 215915 | 0 | 3H-5HT | -2398 | 21 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 583 | 4 | 3 | 6 | 2.1 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C | None | ||
1809 | 134 | 32 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
4 | 134 | 32 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
CHEMBL18840 | 134 | 32 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
124 | 2960 | 47 | 3H-5HT | -181 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2960 | 47 | 3H-5HT | -181 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2960 | 47 | 3H-5HT | -181 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2960 | 47 | 3H-5HT | -181 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2960 | 47 | 3H-5HT | -181 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
15897 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
138107169 | 215927 | 0 | 3H-5HT | -33 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 215927 | 0 | 3H-5HT | -33 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
None | 215915 | 0 | 3H-LSD | -407 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 583 | 4 | 3 | 6 | 2.1 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C | None | ||
1809 | 134 | 32 | Functional | -999 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
4 | 134 | 32 | Functional | -999 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
CHEMBL18840 | 134 | 32 | Functional | -999 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
221 | 3465 | 71 | UNDEFINED | 4 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
3277600 | 3465 | 71 | UNDEFINED | 4 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
CHEMBL323356 | 3465 | 71 | UNDEFINED | 4 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
6446436 | 216426 | 0 | 3H-MESULERGINE | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 3 | 4 | 3.2 | CC1=CC2=C(C=C1)C(C3=C2N(C=C3)CC(C)N)(C)C.C(=CC(=O)O)C(=O)O | None | ||
134 | 2497 | 24 | Functional | -2 | 68 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | Functional | -2 | 68 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | Functional | -2 | 68 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | Functional | -2 | 68 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | Functional | -2 | 68 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1614 | 203632 | 24 | Functional | 2 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL6731 | 203632 | 24 | Functional | 2 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | None | ||
1809 | 134 | 32 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
4 | 134 | 32 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
CHEMBL18840 | 134 | 32 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
107992 | 2536 | 49 | 3H-MESULERGINE | -1 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
165 | 2536 | 49 | 3H-MESULERGINE | -1 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
CHEMBL269521 | 2536 | 49 | 3H-MESULERGINE | -1 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
DB12111 | 2536 | 49 | 3H-MESULERGINE | -1 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
28 | 3470 | 46 | 3H-5HT | -954 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
3292447 | 3470 | 46 | 3H-5HT | -954 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
CHEMBL20963 | 3470 | 46 | 3H-5HT | -954 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
2470 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
2389 | 3306 | 118 | 3H-LSD | -66 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3306 | 118 | 3H-LSD | -66 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3306 | 118 | 3H-LSD | -66 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3306 | 118 | 3H-LSD | -66 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3306 | 118 | 3H-LSD | -66 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
107 | 141 | 121 | 3H-5HT | -4 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
1833 | 141 | 121 | 3H-5HT | -4 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
CHEMBL8165 | 141 | 121 | 3H-5HT | -4 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
None | 215922 | 0 | 3H-5HT | -12 | 24 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
None | 217444 | 0 | UNDEFINED | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 432 | 3 | 2 | 4 | 3.8 | C1CC2=C(CC1CN3CC4CC3CN4C5=CC=CC6=C5OC(=O)N6)C7=C(N2)C=CC(=C7)F | None | ||
105432 | 215999 | 0 | 3H-5HT | -30 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 240 | 5 | 1 | 5 | 1.5 | CC(CC1=CC(=C(C=C1OC)[N+](=O)[O-])OC)N | None | ||
18971832 | 2402 | 0 | 3H-5HT | -263 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | None | ||
21 | 2402 | 0 | 3H-5HT | -263 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | None | ||
CHEMBL3186179 | 2402 | 0 | 3H-5HT | -263 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | None | ||
37459 | 743 | 13 | 3H-KETANSERIN | -39 | 25 | Bovine | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | None | ||
62 | 743 | 13 | 3H-KETANSERIN | -39 | 25 | Bovine | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | None | ||
CHEMBL8514 | 743 | 13 | 3H-KETANSERIN | -39 | 25 | Bovine | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | None | ||
None | 215922 | 0 | 3H-5HT | -12 | 24 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
5268 | 3629 | 40 | 3H-RAUWOLSCINE | -1047 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3629 | 40 | 3H-RAUWOLSCINE | -1047 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3629 | 40 | 3H-RAUWOLSCINE | -1047 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
173 | 3238 | 95 | Functional | 1 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
5011 | 3238 | 95 | Functional | 1 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
CHEMBL18772 | 3238 | 95 | Functional | 1 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
1353 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
119607 | 206180 | 113 | 3H-LSD | 97 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | ||
CHEMBL865 | 206180 | 113 | 3H-LSD | 97 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | ||
1809 | 134 | 32 | 3H-5HT | -999 | 37 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
4 | 134 | 32 | 3H-5HT | -999 | 37 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
CHEMBL18840 | 134 | 32 | 3H-5HT | -999 | 37 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
31016 | 102260 | 15 | 3H-5HT | -11 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | None | ||
CHEMBL30336 | 102260 | 15 | 3H-5HT | -11 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | None | ||
213 | 3824 | 55 | 3H-LSD | -5 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3824 | 55 | 3H-LSD | -5 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3824 | 55 | 3H-LSD | -5 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3824 | 55 | 3H-LSD | -5 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3824 | 55 | 3H-LSD | -5 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
134 | 2497 | 24 | 3H-LSD | -2 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-LSD | -2 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-LSD | -2 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-LSD | -2 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-LSD | -2 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
11957541 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
7153 | 97992 | 77 | 3H-LSD | -1 | 34 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-LSD | -1 | 34 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
135 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
3652 | 4066 | 79 | 3H-5HT | -2 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
57 | 4066 | 79 | 3H-5HT | -2 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
60809 | 4066 | 79 | 3H-5HT | -2 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
CHEMBL21536 | 4066 | 79 | 3H-5HT | -2 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
DB15357 | 4066 | 79 | 3H-5HT | -2 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
5268 | 3629 | 40 | 3H-5HT | -616 | 18 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3629 | 40 | 3H-5HT | -616 | 18 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3629 | 40 | 3H-5HT | -616 | 18 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
1574 | 81 | 60 | 3H-5HT | -2 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
218 | 81 | 60 | 3H-5HT | -2 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
CHEMBL266591 | 81 | 60 | 3H-5HT | -2 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
135 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1150 | 3849 | 121 | 125I-DOI | -8 | 25 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
1150 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
125 | 3849 | 121 | 125I-DOI | -8 | 25 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
125 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
CHEMBL6640 | 3849 | 121 | 125I-DOI | -8 | 25 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
CHEMBL6640 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
DB08653 | 3849 | 121 | 125I-DOI | -8 | 25 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
DB08653 | 3849 | 121 | 3H-5HT | -8 | 25 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
152 | 363 | 29 | Functional | 1 | 19 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
2107 | 363 | 29 | Functional | 1 | 19 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
CHEMBL275854 | 363 | 29 | Functional | 1 | 19 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
5 | 139 | 72 | Functional | -13 | 55 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | Functional | -13 | 55 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | Functional | -13 | 55 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | Functional | -13 | 55 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
4106 | 2485 | 22 | 3H-5HT | -3 | 34 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
5358812 | 2485 | 22 | 3H-5HT | -3 | 34 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
89 | 2485 | 22 | 3H-5HT | -3 | 34 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
CHEMBL93240 | 2485 | 22 | 3H-5HT | -3 | 34 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
5074 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
None | 216026 | 0 | 3H-LSD | -2 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 339 | 4 | 3 | 3 | 1.9 | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C | None | ||
133 | 2479 | 52 | 3H-KETANSERIN | -4 | 43 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
1723 | 2479 | 52 | 3H-KETANSERIN | -4 | 43 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
28693 | 2479 | 52 | 3H-KETANSERIN | -4 | 43 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
CHEMBL19215 | 2479 | 52 | 3H-KETANSERIN | -4 | 43 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
DB13520 | 2479 | 52 | 3H-KETANSERIN | -4 | 43 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
1524 | 2168 | 96 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
None | 216354 | 0 | 3H-5HT | 5 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 342 | 4 | 3 | 4 | 2.5 | CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O | None | ||
191 | 3472 | 52 | 3H-5HT | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | None | ||
443389 | 3472 | 52 | 3H-5HT | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | None | ||
CHEMBL276140 | 3472 | 52 | 3H-5HT | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | None | ||
None | 216353 | 0 | 3H-5HT | -2 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 243 | 3 | 1 | 4 | 2.7 | CCC1=CC2=C(O1)C=CC3=C2N(N=C3)CC(C)N | None | ||
135409468 | 2022 | 69 | 3H-LSD | 1 | 40 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
333 | 2022 | 69 | 3H-LSD | 1 | 40 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
CHEMBL845 | 2022 | 69 | 3H-LSD | 1 | 40 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
5 | 139 | 72 | 3H-MESULERGINE | -13 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-MESULERGINE | -13 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-MESULERGINE | -13 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-MESULERGINE | -13 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
155 | 725 | 25 | Functional | -5 | 13 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
163 | 725 | 25 | Functional | -5 | 13 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
62065 | 725 | 25 | Functional | -5 | 13 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
CHEMBL6607 | 725 | 25 | Functional | -5 | 13 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
DB01484 | 725 | 25 | Functional | -5 | 13 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
1588 | 2311 | 27 | 3H-LSD | -6 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
28864 | 2311 | 27 | 3H-LSD | -6 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
43 | 2311 | 27 | 3H-LSD | -6 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL157138 | 2311 | 27 | 3H-LSD | -6 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB00589 | 2311 | 27 | 3H-LSD | -6 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
None | 216252 | 0 | 3H-LSD | -32 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 426 | 6 | 0 | 6 | 3.4 | C1CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54 | None | ||
11957541 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
11957541 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1615 | 167767 | 24 | Functional | -2 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL43048 | 167767 | 24 | Functional | -2 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
2389 | 3306 | 118 | 3H-5HT | -549 | 68 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3306 | 118 | 3H-5HT | -549 | 68 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3306 | 118 | 3H-5HT | -549 | 68 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3306 | 118 | 3H-5HT | -549 | 68 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3306 | 118 | 3H-5HT | -549 | 68 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
1524 | 2168 | 96 | 125I-DOI | -154 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 125I-DOI | -154 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 125I-DOI | -154 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 125I-DOI | -154 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 125I-DOI | -154 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 125I-DOI | -154 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
189 | 3466 | 39 | 3H-LSD | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
5163 | 3466 | 39 | 3H-LSD | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
CHEMBL297784 | 3466 | 39 | 3H-LSD | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
155 | 725 | 25 | 3H-5HT | -10 | 13 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
163 | 725 | 25 | 3H-5HT | -10 | 13 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
62065 | 725 | 25 | 3H-5HT | -10 | 13 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
CHEMBL6607 | 725 | 25 | 3H-5HT | -10 | 13 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
DB01484 | 725 | 25 | 3H-5HT | -10 | 13 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
202 | 1496 | 77 | 3H-5HT | -1 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
60835 | 1496 | 77 | 3H-5HT | -1 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
972 | 1496 | 77 | 3H-5HT | -1 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
CHEMBL1175 | 1496 | 77 | 3H-5HT | -1 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
DB00476 | 1496 | 77 | 3H-5HT | -1 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
2477 | 742 | 59 | 3H-5HT | -13 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
36 | 742 | 59 | 3H-5HT | -13 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
437 | 742 | 59 | 3H-5HT | -13 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
CHEMBL49 | 742 | 59 | 3H-5HT | -13 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
DB00490 | 742 | 59 | 3H-5HT | -13 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
1524 | 2168 | 96 | 3H-RAUWOLSCINE | -229 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-RAUWOLSCINE | -229 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-RAUWOLSCINE | -229 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-RAUWOLSCINE | -229 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-RAUWOLSCINE | -229 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-RAUWOLSCINE | -229 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
2176 | 3104 | 68 | 3H-5HT | -933 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
4828 | 3104 | 68 | 3H-5HT | -933 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
91 | 3104 | 68 | 3H-5HT | -933 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
CHEMBL500 | 3104 | 68 | 3H-5HT | -933 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
DB00960 | 3104 | 68 | 3H-5HT | -933 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
277 | 1289 | 62 | 125I-DOI | -26 | 46 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
2913 | 1289 | 62 | 125I-DOI | -26 | 46 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
765 | 1289 | 62 | 125I-DOI | -26 | 46 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
CHEMBL516 | 1289 | 62 | 125I-DOI | -26 | 46 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
DB00434 | 1289 | 62 | 125I-DOI | -26 | 46 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
189 | 3466 | 39 | 3H-5HT | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
5163 | 3466 | 39 | 3H-5HT | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
CHEMBL297784 | 3466 | 39 | 3H-5HT | -5 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
1220 | 187 | 55 | 3H-5HT | -1905 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
31 | 187 | 55 | 3H-5HT | -1905 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
7 | 187 | 55 | 3H-5HT | -1905 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
CHEMBL56 | 187 | 55 | 3H-5HT | -1905 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
6917970 | 3665 | 61 | 3H-LSD | -51 | 34 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
8370 | 3665 | 61 | 3H-LSD | -51 | 34 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
CHEMBL487387 | 3665 | 61 | 3H-LSD | -51 | 34 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
1524 | 2168 | 96 | 3H-MESULERGINE | -229 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-MESULERGINE | -229 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-MESULERGINE | -229 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-MESULERGINE | -229 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-MESULERGINE | -229 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-MESULERGINE | -229 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
104911 | 215994 | 0 | 3H-LSD | -99 | 38 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
105432 | 215999 | 0 | 3H-5HT | -44 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 240 | 5 | 1 | 5 | 1.5 | CC(CC1=CC(=C(C=C1OC)[N+](=O)[O-])OC)N | None | ||
1150 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
125 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
CHEMBL6640 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
DB08653 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
7153 | 97992 | 77 | UNDEFINED | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | UNDEFINED | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
None | 216423 | 0 | UNDEFINED | -1 | 28 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
198 | 312 | 126 | 3H-MESULERGINE | -346 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
82148 | 312 | 126 | 3H-MESULERGINE | -346 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
99 | 312 | 126 | 3H-MESULERGINE | -346 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
CHEMBL10878 | 312 | 126 | 3H-MESULERGINE | -346 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
DB06594 | 312 | 126 | 3H-MESULERGINE | -346 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
None | 215922 | 0 | Functional | -33 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
11957541 | 1446 | 40 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
6166 | 215998 | 0 | 3H-5HT | -7 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 330 | 2 | 1 | 3 | 3.7 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C | None | ||
155 | 725 | 25 | 3H-5HT | -5 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
163 | 725 | 25 | 3H-5HT | -5 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
62065 | 725 | 25 | 3H-5HT | -5 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
CHEMBL6607 | 725 | 25 | 3H-5HT | -5 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
DB01484 | 725 | 25 | 3H-5HT | -5 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
57174031 | 215917 | 0 | 3H-KETANSERIN | -457 | 20 | Bovine | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 284 | 2 | 1 | 3 | 3.0 | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 | None | ||
185 | 3975 | 60 | 3H-LSD | -2344 | 38 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
5311271 | 3975 | 60 | 3H-LSD | -2344 | 38 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
CHEMBL74355 | 3975 | 60 | 3H-LSD | -2344 | 38 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
DB16351 | 3975 | 60 | 3H-LSD | -2344 | 38 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
3294 | 1993 | 111 | 3H-LSD | -38 | 45 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
71360 | 1993 | 111 | 3H-LSD | -38 | 45 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
87 | 1993 | 111 | 3H-LSD | -38 | 45 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
CHEMBL14376 | 1993 | 111 | 3H-LSD | -38 | 45 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
DB04946 | 1993 | 111 | 3H-LSD | -38 | 45 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
3337 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
2865 | 4112 | 73 | 3H-5HT | -12 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4112 | 73 | 3H-5HT | -12 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4112 | 73 | 3H-5HT | -12 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4112 | 73 | 3H-5HT | -12 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4112 | 73 | 3H-5HT | -12 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
11957541 | 1446 | 40 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
5 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -29 | 55 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
11957541 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
138107169 | 215927 | 0 | 3H-5HT | -33 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 215927 | 0 | 3H-5HT | -33 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
1574 | 81 | 60 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
218 | 81 | 60 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
CHEMBL266591 | 81 | 60 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
1574 | 81 | 60 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
218 | 81 | 60 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
CHEMBL266591 | 81 | 60 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
115 | 3762 | 80 | Functional | -1 | 27 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
4296 | 3762 | 80 | Functional | -1 | 27 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
CHEMBL274866 | 3762 | 80 | Functional | -1 | 27 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
2389 | 3306 | 118 | 3H-5HT | -66 | 68 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3306 | 118 | 3H-5HT | -66 | 68 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3306 | 118 | 3H-5HT | -66 | 68 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3306 | 118 | 3H-5HT | -66 | 68 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3306 | 118 | 3H-5HT | -66 | 68 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
1150 | 3849 | 121 | Functional | -2 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
125 | 3849 | 121 | Functional | -2 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
CHEMBL6640 | 3849 | 121 | Functional | -2 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
DB08653 | 3849 | 121 | Functional | -2 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
107992 | 2536 | 49 | Functional | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
165 | 2536 | 49 | Functional | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
CHEMBL269521 | 2536 | 49 | Functional | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
DB12111 | 2536 | 49 | Functional | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
11954224 | 215928 | 0 | 3H-5HT | -66 | 60 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
None | 216423 | 0 | 3H-MESULERGINE | 1 | 28 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
1342 | 36 | 49 | 3H-5HT | 2 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
3 | 36 | 49 | 3H-5HT | 2 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
CHEMBL277120 | 36 | 49 | 3H-5HT | 2 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
206 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
68848 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
CHEMBL12314 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
135398737 | 955 | 93 | 3H-RAUWOLSCINE | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 955 | 93 | 3H-RAUWOLSCINE | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 955 | 93 | 3H-RAUWOLSCINE | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 955 | 93 | 3H-RAUWOLSCINE | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 955 | 93 | 3H-RAUWOLSCINE | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
206 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
68848 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
CHEMBL12314 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
242 | 469 | 124 | 3H-LSD | -1 | 52 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 469 | 124 | 3H-LSD | -1 | 52 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 469 | 124 | 3H-LSD | -1 | 52 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 469 | 124 | 3H-LSD | -1 | 52 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 469 | 124 | 3H-LSD | -1 | 52 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
11954224 | 215928 | 0 | 3H-5HT | -66 | 60 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
206 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
68848 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
CHEMBL12314 | 2476 | 16 | 3H-5HT | -1 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
5074 | 3307 | 80 | 125I-DOI | -6 | 30 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 125I-DOI | -6 | 30 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 125I-DOI | -6 | 30 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 125I-DOI | -6 | 30 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
1342 | 36 | 49 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
3 | 36 | 49 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
CHEMBL277120 | 36 | 49 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
1621 | 2413 | 17 | 3H-LSD | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
17 | 2413 | 17 | 3H-LSD | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
5761 | 2413 | 17 | 3H-LSD | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL263881 | 2413 | 17 | 3H-LSD | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB04829 | 2413 | 17 | 3H-LSD | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
1342 | 36 | 49 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
3 | 36 | 49 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
CHEMBL277120 | 36 | 49 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
1621 | 2413 | 17 | 3H-LSD | -39 | 45 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
17 | 2413 | 17 | 3H-LSD | -39 | 45 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
5761 | 2413 | 17 | 3H-LSD | -39 | 45 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL263881 | 2413 | 17 | 3H-LSD | -39 | 45 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB04829 | 2413 | 17 | 3H-LSD | -39 | 45 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
None | 215915 | 0 | Functional | -407 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 583 | 4 | 3 | 6 | 2.1 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C | None | ||
6971132 | 215984 | 0 | 3H-LSD | -7 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 268 | 1 | 2 | 2 | 2.1 | CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O | None | ||
219050 | 3348 | 25 | 3H-MESULERGINE | -194 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
52 | 3348 | 25 | 3H-MESULERGINE | -194 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
CHEMBL431367 | 3348 | 25 | 3H-MESULERGINE | -194 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
2470 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
2 | 3237 | 23 | 3H-5HT | -363 | 29 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
54562 | 3237 | 23 | 3H-5HT | -363 | 29 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
CHEMBL240773 | 3237 | 23 | 3H-5HT | -363 | 29 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
186 | 1794 | 52 | 3H-5HT | -426 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
71781 | 1794 | 52 | 3H-5HT | -426 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
CHEMBL18972 | 1794 | 52 | 3H-5HT | -426 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
31016 | 102260 | 15 | 3H-5HT | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | None | ||
CHEMBL30336 | 102260 | 15 | 3H-5HT | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | None | ||
135398737 | 955 | 93 | 3H-5HT | -36 | 92 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 955 | 93 | 3H-5HT | -36 | 92 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 955 | 93 | 3H-5HT | -36 | 92 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 955 | 93 | 3H-5HT | -36 | 92 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 955 | 93 | 3H-5HT | -36 | 92 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
102 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
None | 215922 | 0 | 3H-5HT | -33 | 24 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
6166 | 215998 | 0 | 3H-5HT | -4 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 330 | 2 | 1 | 3 | 3.7 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C | None | ||
1574 | 81 | 60 | 3H-5HT | -3 | 21 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
218 | 81 | 60 | 3H-5HT | -3 | 21 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
CHEMBL266591 | 81 | 60 | 3H-5HT | -3 | 21 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
130 | 3474 | 47 | 35S-GTPGammaS | -478 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
3378093 | 3474 | 47 | 35S-GTPGammaS | -478 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
CHEMBL281350 | 3474 | 47 | 35S-GTPGammaS | -478 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
2470 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
1524 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
2470 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
2470 | 3626 | 50 | 3H-RAUWOLSCINE | -14125 | 60 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-RAUWOLSCINE | -14125 | 60 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-RAUWOLSCINE | -14125 | 60 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-RAUWOLSCINE | -14125 | 60 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-RAUWOLSCINE | -14125 | 60 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
1524 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
1524 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
2470 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
15760 | 113052 | 57 | 3H-5HT | -5 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 174 | 2 | 2 | 1 | 2.0 | Cc1ccc2[nH]cc(CCN)c2c1 | None | ||
CHEMBL331241 | 113052 | 57 | 3H-5HT | -5 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 174 | 2 | 2 | 1 | 2.0 | Cc1ccc2[nH]cc(CCN)c2c1 | None | ||
None | 215915 | 0 | 3H-LSD | -407 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 583 | 4 | 3 | 6 | 2.1 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C | None | ||
186 | 1794 | 52 | 3H-5HT | -426 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
71781 | 1794 | 52 | 3H-5HT | -426 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
CHEMBL18972 | 1794 | 52 | 3H-5HT | -426 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
2470 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
138107169 | 215927 | 0 | 3H-5HT | -117 | 23 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 215927 | 0 | 3H-5HT | -117 | 23 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
138107169 | 215927 | 0 | 3H-5HT | -117 | 23 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 215927 | 0 | 3H-5HT | -117 | 23 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
206 | 2476 | 16 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
68848 | 2476 | 16 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
CHEMBL12314 | 2476 | 16 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
1524 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
1524 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
206 | 2476 | 16 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
68848 | 2476 | 16 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
CHEMBL12314 | 2476 | 16 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
1353 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1898 | 93 | 3H-5HT | -295 | 86 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
1524 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
1524 | 2168 | 96 | 3H-KETANSERIN | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-KETANSERIN | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-KETANSERIN | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-KETANSERIN | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-KETANSERIN | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-KETANSERIN | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
1524 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
2220 | 3112 | 82 | 3H-5HT | -10 | 14 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
27400 | 3112 | 82 | 3H-5HT | -10 | 14 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
93 | 3112 | 82 | 3H-5HT | -10 | 14 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
CHEMBL294951 | 3112 | 82 | 3H-5HT | -10 | 14 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
DB06153 | 3112 | 82 | 3H-5HT | -10 | 14 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
77158 | 19015 | 56 | 3H-5HT | -2 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
CHEMBL1288717 | 19015 | 56 | 3H-5HT | -2 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
2402 | 3345 | 62 | 3H-MESULERGINE | -9 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
5095 | 3345 | 62 | 3H-MESULERGINE | -9 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
7295 | 3345 | 62 | 3H-MESULERGINE | -9 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
CHEMBL589 | 3345 | 62 | 3H-MESULERGINE | -9 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
DB00268 | 3345 | 62 | 3H-MESULERGINE | -9 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
145 | 140 | 49 | 3H-LSD | -87 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
1832 | 140 | 49 | 3H-LSD | -87 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
CHEMBL7257 | 140 | 49 | 3H-LSD | -87 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
DB14010 | 140 | 49 | 3H-LSD | -87 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
77158 | 19015 | 56 | 3H-5HT | -2 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
CHEMBL1288717 | 19015 | 56 | 3H-5HT | -2 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
206 | 2476 | 16 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
68848 | 2476 | 16 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
CHEMBL12314 | 2476 | 16 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
138107169 | 215927 | 0 | 3H-5HT | -117 | 23 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 215927 | 0 | 3H-5HT | -117 | 23 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
115 | 3762 | 80 | 3H-5HT | -1 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
4296 | 3762 | 80 | 3H-5HT | -1 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
CHEMBL274866 | 3762 | 80 | 3H-5HT | -1 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
3337 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
1524 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
102 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
102 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
1524 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -2691 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
5 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
135398737 | 955 | 93 | 3H-LSD | -2 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 955 | 93 | 3H-LSD | -2 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 955 | 93 | 3H-LSD | -2 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 955 | 93 | 3H-LSD | -2 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 955 | 93 | 3H-LSD | -2 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
138107169 | 215927 | 0 | 3H-RAUWOLSCINE | -33 | 23 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 215927 | 0 | 3H-RAUWOLSCINE | -33 | 23 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
135 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
2865 | 4112 | 73 | 3H-LSD | -12 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4112 | 73 | 3H-LSD | -12 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4112 | 73 | 3H-LSD | -12 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4112 | 73 | 3H-LSD | -12 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4112 | 73 | 3H-LSD | -12 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
1342 | 36 | 49 | 3H-5HT | -4 | 19 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
3 | 36 | 49 | 3H-5HT | -4 | 19 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
CHEMBL277120 | 36 | 49 | 3H-5HT | -4 | 19 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
3117 | 207818 | 103 | None | -8 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
CHEMBL964 | 207818 | 103 | None | -8 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
104903 | 56314 | 17 | None | -4 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | ||
CHEMBL1630578 | 56314 | 17 | None | -4 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
102 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
7153 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
164 | 1448 | 19 | 3H-KETANSERIN | -17 | 10 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | None | ||
85875 | 1448 | 19 | 3H-KETANSERIN | -17 | 10 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | None | ||
CHEMBL8600 | 1448 | 19 | 3H-KETANSERIN | -17 | 10 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | None | ||
DB01528 | 1448 | 19 | 3H-KETANSERIN | -17 | 10 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | None | ||
3337 | 206344 | 27 | Functional | -75 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | Functional | -75 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | Functional | -75 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | Functional | -75 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | Functional | -75 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
None | 217441 | 0 | UNDEFINED | -83 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 449 | 6 | 3 | 4 | 4.1 | C1CC2=C(CC1CCCNCC3COC4=C(O3)C=CC5=C4CC(=O)N5)NC6=C2C=C(C=C6)F | None | ||
107992 | 2536 | 49 | 3H-5HT | -5 | 10 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
165 | 2536 | 49 | 3H-5HT | -5 | 10 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
CHEMBL269521 | 2536 | 49 | 3H-5HT | -5 | 10 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
DB12111 | 2536 | 49 | 3H-5HT | -5 | 10 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
1220 | 187 | 55 | 3H-5HT | -1905 | 45 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
31 | 187 | 55 | 3H-5HT | -1905 | 45 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
7 | 187 | 55 | 3H-5HT | -1905 | 45 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
CHEMBL56 | 187 | 55 | 3H-5HT | -1905 | 45 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
11848624 | 89117 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | ||
CHEMBL236587 | 89117 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | ||
2389 | 3306 | 118 | 3H-LSD | -66 | 68 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3306 | 118 | 3H-LSD | -66 | 68 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3306 | 118 | 3H-LSD | -66 | 68 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3306 | 118 | 3H-LSD | -66 | 68 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3306 | 118 | 3H-LSD | -66 | 68 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
1220 | 187 | 55 | 3H-5HT | -3235 | 45 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
31 | 187 | 55 | 3H-5HT | -3235 | 45 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
7 | 187 | 55 | 3H-5HT | -3235 | 45 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
CHEMBL56 | 187 | 55 | 3H-5HT | -3235 | 45 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
3337 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
3337 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
1210 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
1213 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
2725 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
33036 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
4411 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
616 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
6976 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
716121 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
90475904 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1201353 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1554789 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL505 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB01114 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB13679 | 915 | 51 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
102 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
155 | 725 | 25 | 3H-5HT | -5 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
163 | 725 | 25 | 3H-5HT | -5 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
62065 | 725 | 25 | 3H-5HT | -5 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
CHEMBL6607 | 725 | 25 | 3H-5HT | -5 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
DB01484 | 725 | 25 | 3H-5HT | -5 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
102 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
11954224 | 215928 | 0 | 3H-LSD | -66 | 60 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
11291 | 3196 | 26 | 3H-KETANSERIN | -44 | 5 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | None | ||
4980 | 3196 | 26 | 3H-KETANSERIN | -44 | 5 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | None | ||
CHEMBL65547 | 3196 | 26 | 3H-KETANSERIN | -44 | 5 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | None | ||
None | 216423 | 0 | 3H-5HT | 1 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
173 | 3238 | 95 | 3H-KETANSERIN | -5 | 23 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
5011 | 3238 | 95 | 3H-KETANSERIN | -5 | 23 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
CHEMBL18772 | 3238 | 95 | 3H-KETANSERIN | -5 | 23 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
2181 | 3106 | 46 | 3H-5HT | -15 | 35 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
4830 | 3106 | 46 | 3H-5HT | -15 | 35 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
92 | 3106 | 46 | 3H-5HT | -15 | 35 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
CHEMBL440294 | 3106 | 46 | 3H-5HT | -15 | 35 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
DB09286 | 3106 | 46 | 3H-5HT | -15 | 35 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
15897 | 2840 | 0 | 3H-5-HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
15897 | 2840 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-5-HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-5-HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
186 | 1794 | 52 | 3H-5HT | -776 | 17 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
71781 | 1794 | 52 | 3H-5HT | -776 | 17 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
CHEMBL18972 | 1794 | 52 | 3H-5HT | -776 | 17 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
5268 | 3629 | 40 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3629 | 40 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3629 | 40 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
15897 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
173 | 3238 | 95 | 3H-5HT | 1 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
5011 | 3238 | 95 | 3H-5HT | 1 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
CHEMBL18772 | 3238 | 95 | 3H-5HT | 1 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
11653679 | 181167 | 1 | UNDEFINED | -75 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | None | ||
CHEMBL476108 | 181167 | 1 | UNDEFINED | -75 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | None | ||
10836 | 14435 | 14 | None | -3 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
CHEMBL1201201 | 14435 | 14 | None | -3 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
5475158 | 67183 | 25 | 3H-KETANSERIN | -1 | 14 | Bovine | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 340 | 8 | 1 | 3 | 4.4 | CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1 | None | ||
CHEMBL18786 | 67183 | 25 | 3H-KETANSERIN | -1 | 14 | Bovine | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 340 | 8 | 1 | 3 | 4.4 | CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1 | None | ||
5074 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
5074 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
5870 | 31630 | 92 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | None | ||
CHEMBL1405 | 31630 | 92 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | None | ||
None | 216354 | 0 | 3H-5HT | 5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 342 | 4 | 3 | 4 | 2.5 | CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O | None | ||
5074 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
2812 | 4747 | 101 | None | -40 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
CHEMBL104 | 4747 | 101 | None | -40 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
222757 | 99348 | 73 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | None | ||
CHEMBL282575 | 99348 | 73 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | None | ||
1210 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
1213 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
2725 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
33036 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
4411 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
616 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
6976 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
716121 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
90475904 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1201353 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1554789 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL505 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB01114 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB13679 | 915 | 51 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
5074 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-5HT | -8 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
1357 | 2468 | 139 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
1672 | 2468 | 139 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
224 | 2468 | 139 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
896 | 2468 | 139 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
CHEMBL45 | 2468 | 139 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
DB01065 | 2468 | 139 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
1342 | 36 | 49 | 3H-5HT | -4 | 19 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
3 | 36 | 49 | 3H-5HT | -4 | 19 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
CHEMBL277120 | 36 | 49 | 3H-5HT | -4 | 19 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
1209 | 1645 | 75 | None | -199 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
203 | 1645 | 75 | None | -199 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
3386 | 1645 | 75 | None | -199 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
CHEMBL41 | 1645 | 75 | None | -199 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
DB00472 | 1645 | 75 | None | -199 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
3198 | 205490 | 76 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL1201049 | 205490 | 76 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL808 | 205490 | 76 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
2406 | 100376 | 89 | None | -27 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
CHEMBL290106 | 100376 | 89 | None | -27 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
None | 216354 | 0 | 3H-5HT | 5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 342 | 4 | 3 | 4 | 2.5 | CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O | None | ||
66265 | 93984 | 15 | None | -1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL248702 | 93984 | 15 | None | -1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
1836 | 2574 | 59 | None | -69 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
3340 | 2574 | 59 | None | -69 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
5281040 | 2574 | 59 | None | -69 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
CHEMBL787 | 2574 | 59 | None | -69 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
DB00471 | 2574 | 59 | None | -69 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
2402 | 3345 | 62 | None | -9 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
5095 | 3345 | 62 | None | -9 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
7295 | 3345 | 62 | None | -9 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
CHEMBL589 | 3345 | 62 | None | -9 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
DB00268 | 3345 | 62 | None | -9 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
3598 | 187797 | 76 | None | -2 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | ||
CHEMBL496 | 187797 | 76 | None | -2 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | ||
135 | 2515 | 43 | 3H-RAUWOLSCINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-RAUWOLSCINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-RAUWOLSCINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-RAUWOLSCINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-RAUWOLSCINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4189 | 206899 | 96 | None | -26 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL1559 | 206899 | 96 | None | -26 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL91 | 206899 | 96 | None | -26 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
4943 | 193393 | 105 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | None | ||
CHEMBL526 | 193393 | 105 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | None | ||
3336 | 94972 | 30 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | None | ||
CHEMBL1405922 | 94972 | 30 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | None | ||
CHEMBL254832 | 94972 | 30 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | None | ||
135 | 2515 | 43 | 3H-MESULERGINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-MESULERGINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-MESULERGINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-MESULERGINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-MESULERGINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
189 | 3466 | 39 | 3H-MESULERGINE | -5 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
5163 | 3466 | 39 | 3H-MESULERGINE | -5 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
CHEMBL297784 | 3466 | 39 | 3H-MESULERGINE | -5 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
4211 | 57792 | 83 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | None | ||
CHEMBL1670 | 57792 | 83 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | None | ||
5353853 | 17954 | 47 | None | -23 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
9556529 | 17954 | 47 | None | -23 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL1262 | 17954 | 47 | None | -23 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
1599 | 2326 | 50 | None | -144 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
3955 | 2326 | 50 | None | -144 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
7215 | 2326 | 50 | None | -144 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
CHEMBL841 | 2326 | 50 | None | -144 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
DB00836 | 2326 | 50 | None | -144 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
4209 | 3141 | 75 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3141 | 75 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3141 | 75 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3141 | 75 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3141 | 75 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3141 | 75 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
2142 | 3074 | 58 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3074 | 58 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3074 | 58 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3074 | 58 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3074 | 58 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3074 | 58 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
146 | 135 | 85 | 3H-5HT | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
164682 | 135 | 85 | 3H-5HT | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
CHEMBL275628 | 135 | 85 | 3H-5HT | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
68617 | 205504 | 62 | None | -15 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
CHEMBL1709 | 205504 | 62 | None | -15 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
CHEMBL809 | 205504 | 62 | None | -15 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
4601 | 206724 | 35 | None | -4 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
CHEMBL1201023 | 206724 | 35 | None | -4 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
CHEMBL900 | 206724 | 35 | None | -4 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
448537 | 160226 | 89 | None | -21 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
CHEMBL411 | 160226 | 89 | None | -21 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
2176 | 3104 | 68 | None | -933 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
4828 | 3104 | 68 | None | -933 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
91 | 3104 | 68 | None | -933 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
CHEMBL500 | 3104 | 68 | None | -933 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
DB00960 | 3104 | 68 | None | -933 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
1531 | 2253 | 69 | None | -16 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
3869 | 2253 | 69 | None | -16 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
7207 | 2253 | 69 | None | -16 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
CHEMBL429 | 2253 | 69 | None | -16 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
DB00598 | 2253 | 69 | None | -16 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
5318 | 15544 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL1200348 | 15544 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL1221 | 15544 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
119607 | 206180 | 113 | None | 97 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | ||
CHEMBL865 | 206180 | 113 | None | 97 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | ||
1227 | 2472 | 43 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
2331 | 2472 | 43 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
3957 | 2472 | 43 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
4992 | 2472 | 43 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
CHEMBL511 | 2472 | 43 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
DB06691 | 2472 | 43 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
3151 | 1450 | 97 | None | -125 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
945 | 1450 | 97 | None | -125 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
965 | 1450 | 97 | None | -125 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
CHEMBL219916 | 1450 | 97 | None | -125 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
DB01184 | 1450 | 97 | None | -125 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
1343 | 1876 | 62 | None | -14 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
3519 | 1876 | 62 | None | -14 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
522 | 1876 | 62 | None | -14 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
CHEMBL862 | 1876 | 62 | None | -14 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
DB01018 | 1876 | 62 | None | -14 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
1016 | 3720 | 78 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
2561 | 3720 | 78 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
2733526 | 3720 | 78 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
5384 | 3720 | 78 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
CHEMBL83 | 3720 | 78 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
DB00675 | 3720 | 78 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
5510 | 205829 | 100 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | None | ||
CHEMBL83668 | 205829 | 100 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | None | ||
2202 | 3110 | 96 | None | -6 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
4850 | 3110 | 96 | None | -6 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
49 | 3110 | 96 | None | -6 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL1371770 | 3110 | 96 | None | -6 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
DB12478 | 3110 | 96 | None | -6 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
2723 | 154022 | 108 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | None | ||
CHEMBL398440 | 154022 | 108 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | None | ||
2771 | 194994 | 74 | None | 1 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL1200781 | 194994 | 74 | None | 1 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL549 | 194994 | 74 | None | 1 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
2333 | 142310 | 97 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | None | ||
CHEMBL388590 | 142310 | 97 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | None | ||
135 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
2470 | 3626 | 50 | 125I-DOI | -1513 | 60 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 125I-DOI | -1513 | 60 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 125I-DOI | -1513 | 60 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 125I-DOI | -1513 | 60 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 125I-DOI | -1513 | 60 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
102 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
102 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
135 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
221 | 3465 | 71 | UNDEFINED | 4 | 14 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
3277600 | 3465 | 71 | UNDEFINED | 4 | 14 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
CHEMBL323356 | 3465 | 71 | UNDEFINED | 4 | 14 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
102 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
1615 | 167767 | 24 | 3H-LSD | -2 | 45 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL43048 | 167767 | 24 | 3H-LSD | -2 | 45 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
122 | 1425 | 9 | 3H-5HT | -100 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
156314 | 1425 | 9 | 3H-5HT | -100 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
CHEMBL1332062 | 1425 | 9 | 3H-5HT | -100 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
1209 | 1645 | 75 | 3H-5HT | -199 | 32 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
203 | 1645 | 75 | 3H-5HT | -199 | 32 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
3386 | 1645 | 75 | 3H-5HT | -199 | 32 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
CHEMBL41 | 1645 | 75 | 3H-5HT | -199 | 32 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
DB00472 | 1645 | 75 | 3H-5HT | -199 | 32 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
5268 | 3629 | 40 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3629 | 40 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3629 | 40 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
208 | 2843 | 0 | 3H-5HT | -69 | 13 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
4541 | 2843 | 0 | 3H-5HT | -69 | 13 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
CHEMBL1494 | 2843 | 0 | 3H-5HT | -69 | 13 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
3337 | 206344 | 27 | 3H-5-HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
3337 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-5-HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-5-HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-5-HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-5-HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
221 | 3465 | 71 | 3H-MESULERGINE | -4 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
3277600 | 3465 | 71 | 3H-MESULERGINE | -4 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
CHEMBL323356 | 3465 | 71 | 3H-MESULERGINE | -4 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
3337 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
108182 | 4100 | 22 | 3H-5HT | -1 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 309 | 3 | 2 | 4 | 1.8 | COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl | None | ||
245 | 4100 | 22 | 3H-5HT | -1 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 309 | 3 | 2 | 4 | 1.8 | COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl | None | ||
CHEMBL18041 | 4100 | 22 | 3H-5HT | -1 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 309 | 3 | 2 | 4 | 1.8 | COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl | None | ||
15897 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
15897 | 2840 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
135 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
135 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
None | 216000 | 0 | 3H-5HT | -5 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
2105 | 3032 | 37 | Functional | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
47811 | 3032 | 37 | Functional | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
48 | 3032 | 37 | Functional | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
CHEMBL531 | 3032 | 37 | Functional | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
DB01186 | 3032 | 37 | Functional | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
102 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
135398745 | 2893 | 112 | 3H-5HT | -27 | 66 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2893 | 112 | 3H-5HT | -27 | 66 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2893 | 112 | 3H-5HT | -27 | 66 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2893 | 112 | 3H-5HT | -27 | 66 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
11957541 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | 3H-5HT | -2 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
102 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
542051 | 206077 | 6 | 3H-5HT | -61 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 237 | 6 | 1 | 3 | 2.5 | CCCc1cc(OC)c(CC(C)N)cc1OC | None | ||
CHEMBL8569 | 206077 | 6 | 3H-5HT | -61 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 237 | 6 | 1 | 3 | 2.5 | CCCc1cc(OC)c(CC(C)N)cc1OC | None | ||
1220 | 187 | 55 | 3H-KETANSERIN | -4265 | 45 | Bovine | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
31 | 187 | 55 | 3H-KETANSERIN | -4265 | 45 | Bovine | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
7 | 187 | 55 | 3H-KETANSERIN | -4265 | 45 | Bovine | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
CHEMBL56 | 187 | 55 | 3H-KETANSERIN | -4265 | 45 | Bovine | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
3337 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
11957541 | 1446 | 40 | 3H-KETANSERIN | -16 | 16 | Bovine | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | 3H-KETANSERIN | -16 | 16 | Bovine | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | 3H-KETANSERIN | -16 | 16 | Bovine | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | 3H-KETANSERIN | -16 | 16 | Bovine | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | 3H-KETANSERIN | -16 | 16 | Bovine | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
141 | 1415 | 35 | 3H-KETANSERIN | -6 | 22 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
6089 | 1415 | 35 | 3H-KETANSERIN | -6 | 22 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
CHEMBL12420 | 1415 | 35 | 3H-KETANSERIN | -6 | 22 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
DB01488 | 1415 | 35 | 3H-KETANSERIN | -6 | 22 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
31101 | 726 | 40 | 3H-MESULERGINE | -26 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
35 | 726 | 40 | 3H-MESULERGINE | -26 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
403 | 726 | 40 | 3H-MESULERGINE | -26 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
CHEMBL493 | 726 | 40 | 3H-MESULERGINE | -26 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
DB01200 | 726 | 40 | 3H-MESULERGINE | -26 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
2181 | 3106 | 46 | 3H-5HT | -478 | 35 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
4830 | 3106 | 46 | 3H-5HT | -478 | 35 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
92 | 3106 | 46 | 3H-5HT | -478 | 35 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
CHEMBL440294 | 3106 | 46 | 3H-5HT | -478 | 35 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
DB09286 | 3106 | 46 | 3H-5HT | -478 | 35 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
3337 | 206344 | 27 | 3H-5-HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
3337 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
3337 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-5-HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-5-HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-5-HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-5-HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-5HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
1357 | 2468 | 139 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
1672 | 2468 | 139 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
224 | 2468 | 139 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
896 | 2468 | 139 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
CHEMBL45 | 2468 | 139 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
DB01065 | 2468 | 139 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
115 | 3762 | 80 | 3H-5HT | -1 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
4296 | 3762 | 80 | 3H-5HT | -1 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
CHEMBL274866 | 3762 | 80 | 3H-5HT | -1 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
138107169 | 215927 | 0 | 3H-5HT | -117 | 23 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 215927 | 0 | 3H-5HT | -117 | 23 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
2470 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
283 | 3108 | 57 | 3H-5HT | -562 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
4847 | 3108 | 57 | 3H-5HT | -562 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
CHEMBL18331 | 3108 | 57 | 3H-5HT | -562 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
2726 | 916 | 68 | 3H-KETANSERIN | -3 | 73 | Bovine | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 916 | 68 | 3H-KETANSERIN | -3 | 73 | Bovine | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 916 | 68 | 3H-KETANSERIN | -3 | 73 | Bovine | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 916 | 68 | 3H-KETANSERIN | -3 | 73 | Bovine | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 916 | 68 | 3H-KETANSERIN | -3 | 73 | Bovine | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
None | 217442 | 0 | UNDEFINED | -14 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 421 | 4 | 3 | 4 | 3.3 | C1CC2=C(CC1CNCC3COC4=C(O3)C=CC5=C4CC(=O)N5)C6=C(N2)C=CC(=C6)F | None | ||
44112 | 121264 | 48 | None | -11 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | ||
CHEMBL357995 | 121264 | 48 | None | -11 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | ||
1548955 | 88552 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
2800 | 88552 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
CHEMBL2355051 | 88552 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
3168 | 9230 | 92 | None | -107 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
CHEMBL1108 | 9230 | 92 | None | -107 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
3042 | 1402 | 35 | None | -39 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
355 | 1402 | 35 | None | -39 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
868 | 1402 | 35 | None | -39 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
CHEMBL1123 | 1402 | 35 | None | -39 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
DB00804 | 1402 | 35 | None | -39 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
5591 | 157507 | 90 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | None | ||
CHEMBL408 | 157507 | 90 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | None | ||
1353 | 1898 | 93 | None | -295 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1898 | 93 | None | -295 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1898 | 93 | None | -295 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1898 | 93 | None | -295 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1898 | 93 | None | -295 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
4452 | 2742 | 19 | 3H-LSD | -208 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | None | ||
983 | 2742 | 19 | 3H-LSD | -208 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | None | ||
CHEMBL20734 | 2742 | 19 | 3H-LSD | -208 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | None | ||
4178 | 195780 | 63 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | None | ||
CHEMBL558 | 195780 | 63 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | None | ||
1224 | 1420 | 83 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
3100 | 1420 | 83 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
8980 | 1420 | 83 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
916 | 1420 | 83 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
CHEMBL657 | 1420 | 83 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
DB01075 | 1420 | 83 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
146159245 | 188426 | 30 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | None | ||
451415 | 188426 | 30 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | None | ||
86289437 | 188426 | 30 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | None | ||
CHEMBL502620 | 188426 | 30 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | None | ||
12488 | 1644 | 56 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
941361 | 1644 | 56 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
CHEMBL30008 | 1644 | 56 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
DB04841 | 1644 | 56 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
3033538 | 1307 | 39 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
7155 | 1307 | 39 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
781 | 1307 | 39 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
CHEMBL1201216 | 1307 | 39 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
DB00298 | 1307 | 39 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
77379 | 19014 | 75 | 3H-5HT | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 1 | 2.3 | NCCc1c[nH]c2ccc(Cl)cc12 | None | ||
CHEMBL1288716 | 19014 | 75 | 3H-5HT | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 1 | 2.3 | NCCc1c[nH]c2ccc(Cl)cc12 | None | ||
657255 | 199061 | 34 | None | -9 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
CHEMBL588119 | 199061 | 34 | None | -9 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
176 | 397 | 66 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2157 | 397 | 66 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2566 | 397 | 66 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
CHEMBL633 | 397 | 66 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
DB01118 | 397 | 66 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
4098 | 32475 | 30 | None | -14 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
CHEMBL1255739 | 32475 | 30 | None | -14 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
CHEMBL1411979 | 32475 | 30 | None | -14 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
5282379 | 194961 | 69 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | None | ||
CHEMBL547 | 194961 | 69 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | None | ||
134 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
2028 | 2958 | 80 | None | -40 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
359 | 2958 | 80 | None | -40 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
4634 | 2958 | 80 | None | -40 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
CHEMBL1231 | 2958 | 80 | None | -40 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
DB01062 | 2958 | 80 | None | -40 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
134 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
134 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
6437377 | 215929 | 0 | 3H-5HT | -5 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 500 | 6 | 3 | 7 | 3.2 | CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
1547484 | 937 | 74 | None | -8 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
654 | 937 | 74 | None | -8 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
9072 | 937 | 74 | None | -8 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
CHEMBL43064 | 937 | 74 | None | -8 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
DB00568 | 937 | 74 | None | -8 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
4595 | 176691 | 106 | None | 2 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | None | ||
CHEMBL46 | 176691 | 106 | None | 2 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | None | ||
1782 | 2501 | 84 | None | -3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
241 | 2501 | 84 | None | -3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
4168 | 2501 | 84 | None | -3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
CHEMBL86 | 2501 | 84 | None | -3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
DB01233 | 2501 | 84 | None | -3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
2477 | 742 | 59 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
36 | 742 | 59 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
437 | 742 | 59 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
CHEMBL49 | 742 | 59 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
DB00490 | 742 | 59 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
5074 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
97 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
CHEMBL267777 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
DB12693 | 3307 | 80 | 3H-5HT | -2 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
6075 | 150084 | 42 | None | -8 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
CHEMBL395110 | 150084 | 42 | None | -8 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
2470 | 3626 | 50 | None | -14125 | 60 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | None | -14125 | 60 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | None | -14125 | 60 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | None | -14125 | 60 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | None | -14125 | 60 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
198 | 312 | 126 | None | -346 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
82148 | 312 | 126 | None | -346 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
99 | 312 | 126 | None | -346 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
CHEMBL10878 | 312 | 126 | None | -346 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
DB06594 | 312 | 126 | None | -346 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
210 | 3451 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | None | ||
2423 | 3451 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | None | ||
5160 | 3451 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | None | ||
CHEMBL52939 | 3451 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | None | ||
DB12163 | 3451 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | None | ||
133 | 2479 | 52 | 3H-5HT | -12 | 43 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
1723 | 2479 | 52 | 3H-5HT | -12 | 43 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
28693 | 2479 | 52 | 3H-5HT | -12 | 43 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
CHEMBL19215 | 2479 | 52 | 3H-5HT | -12 | 43 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
DB13520 | 2479 | 52 | 3H-5HT | -12 | 43 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
6726 | 1269 | 51 | None | -7 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
7151 | 1269 | 51 | None | -7 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
749 | 1269 | 51 | None | -7 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
CHEMBL648 | 1269 | 51 | None | -7 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
DB01176 | 1269 | 51 | None | -7 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
3157 | 1458 | 71 | None | -37 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
7170 | 1458 | 71 | None | -37 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
954 | 1458 | 71 | None | -37 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
CHEMBL707 | 1458 | 71 | None | -37 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
DB00590 | 1458 | 71 | None | -37 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
444795 | 139974 | 105 | None | 3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | None | ||
CHEMBL38 | 139974 | 105 | None | 3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | None | ||
2284 | 3160 | 33 | None | -16 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
4926 | 3160 | 33 | None | -16 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
7281 | 3160 | 33 | None | -16 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
CHEMBL564 | 3160 | 33 | None | -16 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
DB00420 | 3160 | 33 | None | -16 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
165193 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
2303 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
4946 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
564 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
62882 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
63 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
66366 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
91536 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
CHEMBL27 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
CHEMBL452861 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
DB00571 | 3165 | 68 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
4011 | 82379 | 49 | None | -20 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
CHEMBL21731 | 82379 | 49 | None | -20 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
3191 | 102831 | 97 | None | -7 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
CHEMBL305660 | 102831 | 97 | None | -7 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
1524 | 2168 | 96 | None | -229 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | None | -229 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | None | -229 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | None | -229 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | None | -229 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | None | -229 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
119584 | 2577 | 102 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
1848 | 2577 | 102 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
242 | 2577 | 102 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
CHEMBL60889 | 2577 | 102 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
DB11675 | 2577 | 102 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
33630 | 178933 | 99 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
CHEMBL47050 | 178933 | 99 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
1605 | 2327 | 117 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
3957 | 2327 | 117 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
7216 | 2327 | 117 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
CHEMBL998 | 2327 | 117 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
DB00455 | 2327 | 117 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
2895 | 203569 | 41 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | None | ||
CHEMBL669 | 203569 | 41 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | None | ||
2398 | 951 | 62 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
2801 | 951 | 62 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
701 | 951 | 62 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
CHEMBL415 | 951 | 62 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
DB01242 | 951 | 62 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
1222 | 1651 | 49 | None | -52 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3396 | 1651 | 49 | None | -52 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
85 | 1651 | 49 | None | -52 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL46516 | 1651 | 49 | None | -52 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
DB04842 | 1651 | 49 | None | -52 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
11658860 | 2329 | 51 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | None | ||
2941 | 2329 | 51 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | None | ||
4374 | 2329 | 51 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | None | ||
CHEMBL360328 | 2329 | 51 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | None | ||
DB04871 | 2329 | 51 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | None | ||
124 | 2960 | 47 | None | -181 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2960 | 47 | None | -181 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2960 | 47 | None | -181 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2960 | 47 | None | -181 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2960 | 47 | None | -181 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
6437377 | 215929 | 0 | 3H-5HT | -5 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 500 | 6 | 3 | 7 | 3.2 | CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
1201549 | 594 | 24 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
333 | 594 | 24 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
7601 | 594 | 24 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
CHEMBL1201203 | 594 | 24 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
CHEMBL438151 | 594 | 24 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
DB00245 | 594 | 24 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
228 | 444 | 28 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
33 | 444 | 28 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
6005 | 444 | 28 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
CHEMBL53 | 444 | 28 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
DB00714 | 444 | 28 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
152 | 363 | 29 | 3H-5HT | 1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
2107 | 363 | 29 | 3H-5HT | 1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
CHEMBL275854 | 363 | 29 | 3H-5HT | 1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
2520 | 203985 | 70 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
CHEMBL1280 | 203985 | 70 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
CHEMBL6966 | 203985 | 70 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
15897 | 2840 | 0 | Functional | 12 | 37 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | Functional | 12 | 37 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | Functional | 12 | 37 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
None | 215916 | 0 | 3H-KETANSERIN | -19 | 6 | Bovine | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 370 | 6 | 2 | 7 | 2.1 | CC(C1=CC=CC2=NC3=C(C=CC=C3N=C21)C(=O)O)OC(=O)C(CO)OC | None | ||
10624 | 70271 | 19 | 3H-KETANSERIN | -46 | 33 | Bovine | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
138543650 | 70271 | 19 | 3H-KETANSERIN | -46 | 33 | Bovine | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
CHEMBL194378 | 70271 | 19 | 3H-KETANSERIN | -46 | 33 | Bovine | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
71285 | 215960 | 0 | Functional | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 209 | 3 | 2 | 4 | 1.3 | CC(CC1=CC2=C(C=C1O)OCO2)NC | None | ||
283 | 3108 | 57 | 3H-5HT | -57 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
4847 | 3108 | 57 | 3H-5HT | -57 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
CHEMBL18331 | 3108 | 57 | 3H-5HT | -57 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
115237 | 55555 | 119 | 3H-LSD | -89 | 55 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
CHEMBL1621 | 55555 | 119 | 3H-LSD | -89 | 55 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
None | 217441 | 0 | UNDEFINED | -83 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 449 | 6 | 3 | 4 | 4.1 | C1CC2=C(CC1CCCNCC3COC4=C(O3)C=CC5=C4CC(=O)N5)NC6=C2C=C(C=C6)F | None | ||
107992 | 2536 | 49 | 3H-5HT | -1 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
165 | 2536 | 49 | 3H-5HT | -1 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
CHEMBL269521 | 2536 | 49 | 3H-5HT | -1 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
DB12111 | 2536 | 49 | 3H-5HT | -1 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
240 | 941 | 43 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
2769 | 941 | 43 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
44279790 | 941 | 43 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
660 | 941 | 43 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL1729 | 941 | 43 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL560739 | 941 | 43 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
DB00604 | 941 | 43 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
7153 | 97992 | 77 | Functional | -1 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | Functional | -1 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
None | 216423 | 0 | Functional | 1 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
107780 | 1831 | 54 | 3H-5HT | -676 | 18 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
14 | 1831 | 54 | 3H-5HT | -676 | 18 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
CHEMBL15928 | 1831 | 54 | 3H-5HT | -676 | 18 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
1524 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
1524 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
173 | 3238 | 95 | 3H-5HT | -3 | 23 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
5011 | 3238 | 95 | 3H-5HT | -3 | 23 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
CHEMBL18772 | 3238 | 95 | 3H-5HT | -3 | 23 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
1574 | 81 | 60 | 125I-DOI | -70 | 21 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
218 | 81 | 60 | 125I-DOI | -70 | 21 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
CHEMBL266591 | 81 | 60 | 125I-DOI | -70 | 21 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
173 | 3238 | 95 | 125I-DOI | -75 | 23 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
5011 | 3238 | 95 | 125I-DOI | -75 | 23 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
CHEMBL18772 | 3238 | 95 | 125I-DOI | -75 | 23 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
1342 | 36 | 49 | 3H-5HT | -4 | 19 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
3 | 36 | 49 | 3H-5HT | -4 | 19 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
CHEMBL277120 | 36 | 49 | 3H-5HT | -4 | 19 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
44626329 | 197385 | 0 | UNDEFINED | -20 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 420 | 3 | 2 | 4 | 3.7 | O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | None | ||
CHEMBL569513 | 197385 | 0 | UNDEFINED | -20 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 420 | 3 | 2 | 4 | 3.7 | O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | None | ||
3337 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-LSD | -75 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
1210 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
1213 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
2725 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
33036 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
4411 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
616 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
6976 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
716121 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
90475904 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1201353 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1554789 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL505 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB01114 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB13679 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
62787 | 206165 | 21 | 3H-KETANSERIN | -67 | 10 | Bovine | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
CHEMBL8642 | 206165 | 21 | 3H-KETANSERIN | -67 | 10 | Bovine | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
2470 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5440 | 28693 | 37 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | None | ||
CHEMBL1378 | 28693 | 37 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | None | ||
4976 | 203556 | 29 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
CHEMBL668 | 203556 | 29 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
5022 | 1638 | 76 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | None | ||
6918248 | 1638 | 76 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | None | ||
8182 | 1638 | 76 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | None | ||
CHEMBL231068 | 1638 | 76 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | None | ||
DB04908 | 1638 | 76 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | None | ||
1971 | 2846 | 38 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
2404 | 2846 | 38 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
4543 | 2846 | 38 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
CHEMBL445 | 2846 | 38 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
DB00540 | 2846 | 38 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
107 | 141 | 121 | 3H-5HT | -12 | 31 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
1833 | 141 | 121 | 3H-5HT | -12 | 31 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
CHEMBL8165 | 141 | 121 | 3H-5HT | -12 | 31 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
213 | 3824 | 55 | None | -5 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3824 | 55 | None | -5 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3824 | 55 | None | -5 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3824 | 55 | None | -5 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3824 | 55 | None | -5 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
11957541 | 1446 | 40 | 3H-MESULERGINE | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
1229 | 1446 | 40 | 3H-MESULERGINE | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
147 | 1446 | 40 | 3H-MESULERGINE | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
170617 | 1446 | 40 | 3H-MESULERGINE | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
CHEMBL6616 | 1446 | 40 | 3H-MESULERGINE | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
2105 | 3032 | 37 | 3H-MESULERGINE | -28 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
47811 | 3032 | 37 | 3H-MESULERGINE | -28 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
48 | 3032 | 37 | 3H-MESULERGINE | -28 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
CHEMBL531 | 3032 | 37 | 3H-MESULERGINE | -28 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
DB01186 | 3032 | 37 | 3H-MESULERGINE | -28 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
2601 | 3751 | 33 | 3H-MESULERGINE | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
443951 | 3751 | 33 | 3H-MESULERGINE | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
56 | 3751 | 33 | 3H-MESULERGINE | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL73151 | 3751 | 33 | 3H-MESULERGINE | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB13399 | 3751 | 33 | 3H-MESULERGINE | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
100 | 3776 | 58 | None | -11 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3776 | 58 | None | -11 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3776 | 58 | None | -11 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3776 | 58 | None | -11 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3776 | 58 | None | -11 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
240 | 941 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
2769 | 941 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
44279790 | 941 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
660 | 941 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL1729 | 941 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL560739 | 941 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
DB00604 | 941 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
135398737 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
2351 | 3261 | 64 | None | -7 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
2820 | 3261 | 64 | None | -7 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
5035 | 3261 | 64 | None | -7 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
CHEMBL81 | 3261 | 64 | None | -7 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
DB00481 | 3261 | 64 | None | -7 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
2274 | 3151 | 58 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
4917 | 3151 | 58 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
7279 | 3151 | 58 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
CHEMBL728 | 3151 | 58 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
DB00433 | 3151 | 58 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
2099 | 9275 | 55 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | None | ||
CHEMBL1110 | 9275 | 55 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | None | ||
135398745 | 2893 | 112 | 3H-LSD | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2893 | 112 | 3H-LSD | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2893 | 112 | 3H-LSD | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2893 | 112 | 3H-LSD | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
3952 | 1875 | 38 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5353646 | 1875 | 38 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5443 | 1875 | 38 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5702063 | 1875 | 38 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL1331786 | 1875 | 38 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL420 | 1875 | 38 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
115237 | 55555 | 119 | None | -89 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
CHEMBL1621 | 55555 | 119 | None | -89 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
2291 | 3162 | 58 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
2561 | 3162 | 58 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
4932 | 3162 | 58 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
CHEMBL631 | 3162 | 58 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
DB01182 | 3162 | 58 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
216239 | 23763 | 118 | None | 2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | None | ||
CHEMBL1200485 | 23763 | 118 | None | 2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | None | ||
CHEMBL1336 | 23763 | 118 | None | 2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | None | ||
2726 | 916 | 68 | None | -19 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 916 | 68 | None | -19 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 916 | 68 | None | -19 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 916 | 68 | None | -19 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 916 | 68 | None | -19 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
31101 | 726 | 40 | None | -26 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
35 | 726 | 40 | None | -26 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
403 | 726 | 40 | None | -26 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
CHEMBL493 | 726 | 40 | None | -26 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
DB01200 | 726 | 40 | None | -26 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
102 | 4096 | 48 | None | -100 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | None | -100 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | None | -100 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | None | -100 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | None | -100 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
2181 | 3106 | 46 | None | -15 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
4830 | 3106 | 46 | None | -15 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
92 | 3106 | 46 | None | -15 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
CHEMBL440294 | 3106 | 46 | None | -15 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
DB09286 | 3106 | 46 | None | -15 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
2286 | 3161 | 51 | None | -5 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
4927 | 3161 | 51 | None | -5 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
7282 | 3161 | 51 | None | -5 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
CHEMBL643 | 3161 | 51 | None | -5 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
DB01069 | 3161 | 51 | None | -5 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
180 | 400 | 56 | None | -35 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
200 | 400 | 56 | None | -35 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
2160 | 400 | 56 | None | -35 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
CHEMBL629 | 400 | 56 | None | -35 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
DB00321 | 400 | 56 | None | -35 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
2389 | 3306 | 118 | None | -66 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3306 | 118 | None | -66 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3306 | 118 | None | -66 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3306 | 118 | None | -66 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3306 | 118 | None | -66 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
114948 | 60267 | 14 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 577 | 5 | 3 | 6 | 2.5 | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | None | ||
CHEMBL1743263 | 60267 | 14 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 577 | 5 | 3 | 6 | 2.5 | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | None | ||
6761 | 67770 | 19 | None | -7 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
CHEMBL1909072 | 67770 | 19 | None | -7 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
1621 | 2413 | 17 | None | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
17 | 2413 | 17 | None | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
5761 | 2413 | 17 | None | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL263881 | 2413 | 17 | None | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB04829 | 2413 | 17 | None | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
2600 | 3750 | 74 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
2608 | 3750 | 74 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
5405 | 3750 | 74 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
CHEMBL17157 | 3750 | 74 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
DB00342 | 3750 | 74 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
1530 | 2169 | 50 | None | -19 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
3827 | 2169 | 50 | None | -19 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
7206 | 2169 | 50 | None | -19 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
CHEMBL534 | 2169 | 50 | None | -19 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
DB00920 | 2169 | 50 | None | -19 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
124087 | 1377 | 114 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
7157 | 1377 | 114 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
814 | 1377 | 114 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
CHEMBL1172 | 1377 | 114 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
DB00967 | 1377 | 114 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
2865 | 4112 | 73 | None | -12 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4112 | 73 | None | -12 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4112 | 73 | None | -12 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4112 | 73 | None | -12 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4112 | 73 | None | -12 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
135398737 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
1212 | 1649 | 50 | None | -27 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1649 | 50 | None | -27 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1649 | 50 | None | -27 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1649 | 50 | None | -27 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1649 | 50 | None | -27 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
26987 | 946 | 33 | None | -47 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
6063 | 946 | 33 | None | -47 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
671 | 946 | 33 | None | -47 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
CHEMBL1626 | 946 | 33 | None | -47 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
DB00283 | 946 | 33 | None | -47 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
2267 | 557 | 71 | None | -10 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
271 | 557 | 71 | None | -10 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
7121 | 557 | 71 | None | -10 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
CHEMBL639 | 557 | 71 | None | -10 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
DB00972 | 557 | 71 | None | -10 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
3652 | 4066 | 79 | None | -2 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
57 | 4066 | 79 | None | -2 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
60809 | 4066 | 79 | None | -2 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
CHEMBL21536 | 4066 | 79 | None | -2 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
DB15357 | 4066 | 79 | None | -2 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
2585 | 800 | 103 | None | -18 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
522 | 800 | 103 | None | -18 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
551 | 800 | 103 | None | -18 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
CHEMBL723 | 800 | 103 | None | -18 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
DB01136 | 800 | 103 | None | -18 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
102 | 4096 | 48 | None | -93 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4096 | 48 | None | -93 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4096 | 48 | None | -93 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4096 | 48 | None | -93 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4096 | 48 | None | -93 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
135398745 | 2893 | 112 | None | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2893 | 112 | None | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2893 | 112 | None | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2893 | 112 | None | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
134 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
3036864 | 202731 | 19 | Functional | -295 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
CHEMBL1256645 | 202731 | 19 | Functional | -295 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
CHEMBL1814790 | 202731 | 19 | Functional | -295 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
CHEMBL62 | 202731 | 19 | Functional | -295 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
1615 | 167767 | 24 | 3H-LSD | -2 | 45 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL43048 | 167767 | 24 | 3H-LSD | -2 | 45 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
2470 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3626 | 50 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
1210 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
1213 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
2725 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
33036 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
4411 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
616 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
6976 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
716121 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
90475904 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1201353 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1554789 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL505 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB01114 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB13679 | 915 | 51 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
1150 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
125 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
CHEMBL6640 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
DB08653 | 3849 | 121 | 3H-5HT | -2 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
213 | 3824 | 55 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3824 | 55 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3824 | 55 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3824 | 55 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3824 | 55 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
21830793 | 91806 | 10 | 3H-8-OH-DPAT | -489 | 46 | Bovine | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
CHEMBL2413154 | 91806 | 10 | 3H-8-OH-DPAT | -489 | 46 | Bovine | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
45266826 | 217664 | 0 | [3H] LSD | 2 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 177 | 3 | 1 | 2 | 1.8 | CC1=CC=C(C=C1)C(=O)C(C)NC | None | ||
179 | 399 | 115 | 3H-LSD | -17 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
2159 | 399 | 115 | 3H-LSD | -17 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
963 | 399 | 115 | 3H-LSD | -17 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
CHEMBL243712 | 399 | 115 | 3H-LSD | -17 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
DB06288 | 399 | 115 | 3H-LSD | -17 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
24740863 | 89129 | 0 | UNDEFINED | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | None | ||
CHEMBL236610 | 89129 | 0 | UNDEFINED | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | None | ||
1524 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2168 | 96 | 3H-5HT | -229 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
5 | 139 | 72 | 3H-KETANSERIN | -1778 | 55 | Bovine | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-KETANSERIN | -1778 | 55 | Bovine | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-KETANSERIN | -1778 | 55 | Bovine | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-KETANSERIN | -1778 | 55 | Bovine | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
77590 | 215930 | 0 | 3H-5HT | -10 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 124 | 4 | 0 | 2 | 0.8 | COCCOCCl | None | ||
221 | 3465 | 71 | 3H-5HT | -4 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
3277600 | 3465 | 71 | 3H-5HT | -4 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
CHEMBL323356 | 3465 | 71 | 3H-5HT | -4 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
None | 216423 | 0 | UNDEFINED | 1 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
206 | 2476 | 16 | 3H-KETANSERIN | -5 | 25 | Bovine | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
68848 | 2476 | 16 | 3H-KETANSERIN | -5 | 25 | Bovine | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
CHEMBL12314 | 2476 | 16 | 3H-KETANSERIN | -5 | 25 | Bovine | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
134551 | 357 | 27 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
271 | 357 | 27 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
885 | 357 | 27 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
CHEMBL1403281 | 357 | 27 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
135 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | None | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
2247 | 504 | 81 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
249 | 504 | 81 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
2603 | 504 | 81 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
CHEMBL296419 | 504 | 81 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
DB00637 | 504 | 81 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
1385580 | 29245 | 76 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | None | ||
4615 | 29245 | 76 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | None | ||
CHEMBL13828 | 29245 | 76 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | None | ||
191 | 402 | 98 | None | -5 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
201 | 402 | 98 | None | -5 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
2170 | 402 | 98 | None | -5 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
CHEMBL1113 | 402 | 98 | None | -5 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
DB00543 | 402 | 98 | None | -5 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
2601 | 3751 | 33 | None | -8 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
443951 | 3751 | 33 | None | -8 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
56 | 3751 | 33 | None | -8 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL73151 | 3751 | 33 | None | -8 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB13399 | 3751 | 33 | None | -8 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
135398737 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 955 | 93 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
10531 | 1408 | 21 | None | -15 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
121 | 1408 | 21 | None | -15 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
888 | 1408 | 21 | None | -15 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
CHEMBL1732 | 1408 | 21 | None | -15 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
DB00320 | 1408 | 21 | None | -15 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
107715 | 200922 | 22 | None | -14 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
CHEMBL1255837 | 200922 | 22 | None | -14 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
CHEMBL601773 | 200922 | 22 | None | -14 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
135526515 | 217697 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 3 | 2.8 | CCCCCNC(=N)NN=CC1=CNC2=C1C=C(OC)C=C2 | None | ||
1588 | 2311 | 27 | None | -6 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
28864 | 2311 | 27 | None | -6 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
43 | 2311 | 27 | None | -6 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL157138 | 2311 | 27 | None | -6 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB00589 | 2311 | 27 | None | -6 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
135398737 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 955 | 93 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
1042 | 1568 | 23 | None | -7 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | ||
148 | 1568 | 23 | None | -7 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | ||
443884 | 1568 | 23 | None | -7 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | ||
CHEMBL119443 | 1568 | 23 | None | -7 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | ||
DB01253 | 1568 | 23 | None | -7 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | ||
2220 | 3112 | 82 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
27400 | 3112 | 82 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
93 | 3112 | 82 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
CHEMBL294951 | 3112 | 82 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
DB06153 | 3112 | 82 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
3337 | 206344 | 27 | Functional | -75 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | Functional | -75 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | Functional | -75 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | Functional | -75 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | Functional | -75 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
11978813 | 718 | 79 | None | -2 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
5014 | 718 | 79 | None | -2 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
7672 | 718 | 79 | None | -2 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
CHEMBL2105760 | 718 | 79 | None | -2 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
DB09128 | 718 | 79 | None | -2 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
133 | 2479 | 52 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
1723 | 2479 | 52 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
28693 | 2479 | 52 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
CHEMBL19215 | 2479 | 52 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
DB13520 | 2479 | 52 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
277 | 1289 | 62 | None | -5 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
2913 | 1289 | 62 | None | -5 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
765 | 1289 | 62 | None | -5 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
CHEMBL516 | 1289 | 62 | None | -5 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
DB00434 | 1289 | 62 | None | -5 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
37 | 775 | 60 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
460 | 775 | 60 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
54746 | 775 | 60 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
CHEMBL1201087 | 775 | 60 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
DB00248 | 775 | 60 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
11954224 | 215928 | 0 | None | -66 | 60 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
1621 | 2413 | 17 | Functional | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
17 | 2413 | 17 | Functional | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
5761 | 2413 | 17 | Functional | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL263881 | 2413 | 17 | Functional | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB04829 | 2413 | 17 | Functional | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
135 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
None | 215944 | 0 | 3H-KETANSERIN | -147 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 259 | 5 | 1 | 3 | 2.6 | CCC1=CC(=C(C=C1OC)CC(C)N)OC.Cl | None | ||
3036864 | 202731 | 19 | 3H-5HT | -346 | 28 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
CHEMBL1256645 | 202731 | 19 | 3H-5HT | -346 | 28 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
CHEMBL1814790 | 202731 | 19 | 3H-5HT | -346 | 28 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
CHEMBL62 | 202731 | 19 | 3H-5HT | -346 | 28 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
213 | 3824 | 55 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3824 | 55 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3824 | 55 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3824 | 55 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3824 | 55 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
115 | 3762 | 80 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
4296 | 3762 | 80 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
CHEMBL274866 | 3762 | 80 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
173 | 3238 | 95 | 3H-5HT | 1 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
5011 | 3238 | 95 | 3H-5HT | 1 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
CHEMBL18772 | 3238 | 95 | 3H-5HT | 1 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
115 | 3762 | 80 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
4296 | 3762 | 80 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
CHEMBL274866 | 3762 | 80 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
2337 | 3232 | 77 | 3H-LSD | -15 | 63 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3232 | 77 | 3H-LSD | -15 | 63 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3232 | 77 | 3H-LSD | -15 | 63 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3232 | 77 | 3H-LSD | -15 | 63 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3232 | 77 | 3H-LSD | -15 | 63 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
134 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-5HT | -12 | 68 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
119376 | 1828 | 48 | 3H-5HT | -4786 | 27 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
247 | 1828 | 48 | 3H-5HT | -4786 | 27 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
CHEMBL33884 | 1828 | 48 | 3H-5HT | -4786 | 27 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
71299720 | 215926 | 0 | 3H-5HT | -691 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 450 | 3 | 2 | 6 | 3.0 | CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
1220 | 187 | 55 | Functional | -1905 | 45 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
31 | 187 | 55 | Functional | -1905 | 45 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
7 | 187 | 55 | Functional | -1905 | 45 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
CHEMBL56 | 187 | 55 | Functional | -1905 | 45 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
150 | 2492 | 21 | None | 1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
1764 | 2492 | 21 | None | 1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
8226 | 2492 | 21 | None | 1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
CHEMBL1201356 | 2492 | 21 | None | 1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
DB00353 | 2492 | 21 | None | 1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
134 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | 3H-5HT | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
107 | 141 | 121 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
1833 | 141 | 121 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
CHEMBL8165 | 141 | 121 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
107 | 141 | 121 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
1833 | 141 | 121 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
CHEMBL8165 | 141 | 121 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
11154555 | 797 | 62 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
5037 | 797 | 62 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
7671 | 797 | 62 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL2028019 | 797 | 62 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL3085826 | 797 | 62 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB06016 | 797 | 62 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
242 | 469 | 124 | None | -1 | 52 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 469 | 124 | None | -1 | 52 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 469 | 124 | None | -1 | 52 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 469 | 124 | None | -1 | 52 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 469 | 124 | None | -1 | 52 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
5 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
135 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-5HT | -3 | 58 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
46780481 | 107504 | 20 | None | -57 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107504 | 20 | None | -57 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107504 | 20 | None | -57 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107504 | 20 | None | -57 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
5 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
5202 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
CHEMBL39 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
DB08839 | 139 | 72 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
11848625 | 5760 | 0 | UNDEFINED | 2 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | None | ||
CHEMBL1078745 | 5760 | 0 | UNDEFINED | 2 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | None | ||
62787 | 206165 | 21 | 3H-5HT | -3 | 10 | Rat | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
CHEMBL8642 | 206165 | 21 | 3H-5HT | -3 | 10 | Rat | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
7153 | 97992 | 77 | 3H-KETANSERIN | -50 | 34 | Bovine | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-KETANSERIN | -50 | 34 | Bovine | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
None | 216000 | 0 | 3H-5HT | -10 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
None | 216425 | 0 | 3H-5HT | -43 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 4 | 3.4 | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCOC4=CC=C(C=C4)F.Cl | None | ||
10624 | 70271 | 19 | 3H-LSD | -7 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
138543650 | 70271 | 19 | 3H-LSD | -7 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
CHEMBL194378 | 70271 | 19 | 3H-LSD | -7 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
282 | 1407 | 0 | None | -371 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 577 | 5 | 3 | 6 | 2.5 | CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | 23519215 | ||
522609 | 1407 | 0 | None | -371 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 577 | 5 | 3 | 6 | 2.5 | CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | 23519215 | ||
1621 | 2413 | 17 | None | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 23519215 | ||
17 | 2413 | 17 | None | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 23519215 | ||
5761 | 2413 | 17 | None | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 23519215 | ||
CHEMBL263881 | 2413 | 17 | None | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 23519215 | ||
DB04829 | 2413 | 17 | None | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 23519215 | ||
10287037 | 623 | 0 | None | 31 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 367 | 3 | 0 | 4 | 5.1 | CCOc1ccc2c(c1)Sc1c(C2=C2CCN(CC2)C)c(OC)ccc1 | 25666387 | ||
8424 | 623 | 0 | None | 31 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 367 | 3 | 0 | 4 | 5.1 | CCOc1ccc2c(c1)Sc1c(C2=C2CCN(CC2)C)c(OC)ccc1 | 25666387 | ||
2 | 3237 | 23 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 12388666 | ||
2 | 3237 | 23 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 15322733 | ||
54562 | 3237 | 23 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 12388666 | ||
54562 | 3237 | 23 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 15322733 | ||
CHEMBL240773 | 3237 | 23 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 12388666 | ||
CHEMBL240773 | 3237 | 23 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 15322733 | ||
11658860 | 2329 | 51 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
2941 | 2329 | 51 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
4374 | 2329 | 51 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
CHEMBL360328 | 2329 | 51 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
DB04871 | 2329 | 51 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
45275554 | 3287 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 492 | 9 | 3 | 6 | 3.7 | COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl | 25316608 | ||
8427 | 3287 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 492 | 9 | 3 | 6 | 3.7 | COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl | 25316608 | ||
CHEMBL3544975 | 3287 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 492 | 9 | 3 | 6 | 3.7 | COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl | 25316608 | ||
DB12798 | 3287 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 492 | 9 | 3 | 6 | 3.7 | COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl | 25316608 | ||
11957541 | 1446 | 40 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
11957541 | 1446 | 40 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8450835 | ||
1229 | 1446 | 40 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
1229 | 1446 | 40 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8450835 | ||
147 | 1446 | 40 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
147 | 1446 | 40 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8450835 | ||
170617 | 1446 | 40 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
170617 | 1446 | 40 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8450835 | ||
CHEMBL6616 | 1446 | 40 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
CHEMBL6616 | 1446 | 40 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8450835 | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 12970106 | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
11957541 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 9933142 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 12970106 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
1229 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 9933142 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 12970106 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
147 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 9933142 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 12970106 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
170617 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 9933142 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 12970106 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
CHEMBL6616 | 1446 | 40 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 9933142 | ||
161 | 751 | 6 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 12970106 | ||
161 | 751 | 6 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15322733 | ||
161 | 751 | 6 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15466450 | ||
4284720 | 751 | 6 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 12970106 | ||
4284720 | 751 | 6 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15322733 | ||
4284720 | 751 | 6 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15466450 | ||
CHEMBL1255834 | 751 | 6 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 12970106 | ||
CHEMBL1255834 | 751 | 6 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15322733 | ||
CHEMBL1255834 | 751 | 6 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15466450 | ||
166 | 3334 | 18 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 15322733 | ||
3045227 | 3334 | 18 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 15322733 | ||
CHEMBL76781 | 3334 | 18 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 15322733 | ||
135 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10455251 | ||
135 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 15322733 | ||
135 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 9459568 | ||
1796 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10455251 | ||
1796 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 15322733 | ||
1796 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 9459568 | ||
4184 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10455251 | ||
4184 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 15322733 | ||
4184 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 9459568 | ||
CHEMBL6437 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10455251 | ||
CHEMBL6437 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 15322733 | ||
CHEMBL6437 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 9459568 | ||
DB06148 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10455251 | ||
DB06148 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 15322733 | ||
DB06148 | 2515 | 43 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 9459568 | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 11104741 | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 15322733 | ||
134 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 9459568 | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 11104741 | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 15322733 | ||
1775 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 9459568 | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 11104741 | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 15322733 | ||
9681 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 9459568 | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 11104741 | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 15322733 | ||
CHEMBL1065 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 9459568 | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 11104741 | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 15322733 | ||
DB00247 | 2497 | 24 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 9459568 | ||
176 | 1525 | 0 | None | 19 | 4 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 326 | 4 | 1 | 5 | 2.8 | Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-] | 15107597 | ||
9930789 | 1525 | 0 | None | 19 | 4 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 326 | 4 | 1 | 5 | 2.8 | Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-] | 15107597 | ||
CHEMBL1628720 | 1525 | 0 | None | 19 | 4 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 326 | 4 | 1 | 5 | 2.8 | Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-] | 15107597 | ||
188 | 3366 | 80 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10455251 | ||
188 | 3366 | 80 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 15322733 | ||
196968 | 3366 | 80 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10455251 | ||
196968 | 3366 | 80 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 15322733 | ||
CHEMBL473186 | 3366 | 80 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10455251 | ||
CHEMBL473186 | 3366 | 80 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 15322733 | ||
3763 | 217685 | 0 | None | - | 1 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 184 | 2 | 0 | 1 | 2.4 | FC(F)OC(Cl)C(F)(F)F | None | ||
202 | 1496 | 77 | None | -1 | 33 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
60835 | 1496 | 77 | None | -1 | 33 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
972 | 1496 | 77 | None | -1 | 33 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
CHEMBL1175 | 1496 | 77 | None | -1 | 33 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
DB00476 | 1496 | 77 | None | -1 | 33 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
3337 | 206344 | 27 | None | -75 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | None | -75 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | None | -75 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | None | -75 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | None | -75 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
4450 | 178204 | 69 | None | -1 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(c2ccccc2)c2ccccc2C1 | None | ||
CHEMBL465026 | 178204 | 69 | None | -1 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(c2ccccc2)c2ccccc2C1 | None | ||
6166 | 215998 | 0 | None | -4 | 4 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 330 | 2 | 1 | 3 | 3.7 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C | None | ||
179 | 399 | 115 | None | -17 | 51 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
2159 | 399 | 115 | None | -17 | 51 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
963 | 399 | 115 | None | -17 | 51 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
CHEMBL243712 | 399 | 115 | None | -17 | 51 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
DB06288 | 399 | 115 | None | -17 | 51 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
1357 | 2468 | 139 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
1672 | 2468 | 139 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
224 | 2468 | 139 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
896 | 2468 | 139 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
CHEMBL45 | 2468 | 139 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
DB01065 | 2468 | 139 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
1209 | 1645 | 75 | None | -199 | 32 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
203 | 1645 | 75 | None | -199 | 32 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
3386 | 1645 | 75 | None | -199 | 32 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
CHEMBL41 | 1645 | 75 | None | -199 | 32 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
DB00472 | 1645 | 75 | None | -199 | 32 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
208 | 2843 | 0 | None | -69 | 13 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
4541 | 2843 | 0 | None | -69 | 13 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
CHEMBL1494 | 2843 | 0 | None | -69 | 13 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
1220 | 187 | 55 | None | -1905 | 45 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 15322733 | ||
1220 | 187 | 55 | None | -3235 | 45 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 8450835 | ||
31 | 187 | 55 | None | -1905 | 45 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 15322733 | ||
31 | 187 | 55 | None | -3235 | 45 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 8450835 | ||
7 | 187 | 55 | None | -1905 | 45 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 15322733 | ||
7 | 187 | 55 | None | -3235 | 45 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 8450835 | ||
CHEMBL56 | 187 | 55 | None | -1905 | 45 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 15322733 | ||
CHEMBL56 | 187 | 55 | None | -3235 | 45 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 8450835 | ||
1524 | 2168 | 96 | None | -2691 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
197 | 2168 | 96 | None | -2691 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
3822 | 2168 | 96 | None | -2691 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
88 | 2168 | 96 | None | -2691 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
CHEMBL51 | 2168 | 96 | None | -2691 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
DB12465 | 2168 | 96 | None | -2691 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
186 | 1794 | 52 | None | -426 | 17 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 15322733 | ||
71781 | 1794 | 52 | None | -426 | 17 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 15322733 | ||
CHEMBL18972 | 1794 | 52 | None | -426 | 17 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 15322733 | ||
2470 | 3626 | 50 | None | -120226 | 60 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8450835 | ||
3300 | 3626 | 50 | None | -120226 | 60 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8450835 | ||
5265 | 3626 | 50 | None | -120226 | 60 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8450835 | ||
99 | 3626 | 50 | None | -120226 | 60 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8450835 | ||
CHEMBL267930 | 3626 | 50 | None | -120226 | 60 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8450835 | ||
2176 | 3104 | 68 | None | -933 | 27 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15322733 | ||
4828 | 3104 | 68 | None | -933 | 27 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15322733 | ||
91 | 3104 | 68 | None | -933 | 27 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15322733 | ||
CHEMBL500 | 3104 | 68 | None | -933 | 27 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15322733 | ||
DB00960 | 3104 | 68 | None | -933 | 27 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15322733 | ||
29 | 789 | 0 | None | -2511 | 9 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 456 | 5 | 1 | 8 | 3.4 | Nc1c(Cl)cc(c2c1OCCO2)c1nn(c(=O)o1)C1CCN(CC1)CCc1ccccc1 | 12130738 | ||
9805719 | 789 | 0 | None | -2511 | 9 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 456 | 5 | 1 | 8 | 3.4 | Nc1c(Cl)cc(c2c1OCCO2)c1nn(c(=O)o1)C1CCN(CC1)CCc1ccccc1 | 12130738 | ||
CHEMBL2027925 | 789 | 0 | None | -2511 | 9 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 456 | 5 | 1 | 8 | 3.4 | Nc1c(Cl)cc(c2c1OCCO2)c1nn(c(=O)o1)C1CCN(CC1)CCc1ccccc1 | 12130738 | ||
18971832 | 2402 | 0 | None | -263 | 13 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | 9395253 | ||
21 | 2402 | 0 | None | -263 | 13 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | 9395253 | ||
CHEMBL3186179 | 2402 | 0 | None | -263 | 13 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | 9395253 | ||
28 | 3470 | 46 | None | -954 | 10 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
3292447 | 3470 | 46 | None | -954 | 10 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
CHEMBL20963 | 3470 | 46 | None | -954 | 10 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
2202 | 3110 | 96 | None | -6 | 21 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
4850 | 3110 | 96 | None | -6 | 21 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
49 | 3110 | 96 | None | -6 | 21 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
CHEMBL1371770 | 3110 | 96 | None | -6 | 21 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
DB12478 | 3110 | 96 | None | -6 | 21 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
130 | 3474 | 47 | None | -478 | 13 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 15322733 | ||
3378093 | 3474 | 47 | None | -478 | 13 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 15322733 | ||
CHEMBL281350 | 3474 | 47 | None | -478 | 13 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 15322733 | ||
143 | 3489 | 51 | None | -158 | 7 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 438 | 5 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)CCN(C2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccnc2c1cccc2 | 10945872 | ||
5311096 | 3489 | 51 | None | -158 | 7 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 438 | 5 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)CCN(C2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccnc2c1cccc2 | 10945872 | ||
CHEMBL85606 | 3489 | 51 | None | -158 | 7 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 438 | 5 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)CCN(C2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccnc2c1cccc2 | 10945872 | ||
175 | 3628 | 44 | None | -331 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
68186 | 3628 | 44 | None | -331 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
CHEMBL79834 | 3628 | 44 | None | -331 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
185 | 3975 | 60 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10188965 | ||
185 | 3975 | 60 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 15322733 | ||
5311271 | 3975 | 60 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10188965 | ||
5311271 | 3975 | 60 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 15322733 | ||
CHEMBL74355 | 3975 | 60 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10188965 | ||
CHEMBL74355 | 3975 | 60 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 15322733 | ||
DB16351 | 3975 | 60 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10188965 | ||
DB16351 | 3975 | 60 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 15322733 | ||
187 | 3363 | 18 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 15322733 | ||
187 | 3363 | 18 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 9225287 | ||
3693566 | 3363 | 18 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 15322733 | ||
3693566 | 3363 | 18 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 9225287 | ||
CHEMBL88402 | 3363 | 18 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 15322733 | ||
CHEMBL88402 | 3363 | 18 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 9225287 | ||
1353 | 1898 | 93 | None | -295 | 86 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 9459568 | ||
3559 | 1898 | 93 | None | -295 | 86 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 9459568 | ||
86 | 1898 | 93 | None | -295 | 86 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 9459568 | ||
CHEMBL54 | 1898 | 93 | None | -295 | 86 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 9459568 | ||
DB00502 | 1898 | 93 | None | -295 | 86 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 9459568 | ||
109 | 899 | 31 | None | -281 | 7 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 334 | 1 | 0 | 4 | 3.3 | CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F | 15322733 | ||
2689 | 899 | 31 | None | -281 | 7 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 334 | 1 | 0 | 4 | 3.3 | CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F | 15322733 | ||
CHEMBL27403 | 899 | 31 | None | -281 | 7 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 334 | 1 | 0 | 4 | 3.3 | CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F | 15322733 | ||
2470 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
2470 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8078486 | ||
2470 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 9459568 | ||
3300 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
3300 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8078486 | ||
3300 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 9459568 | ||
5265 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
5265 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8078486 | ||
5265 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 9459568 | ||
99 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
99 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8078486 | ||
99 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 9459568 | ||
CHEMBL267930 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
CHEMBL267930 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8078486 | ||
CHEMBL267930 | 3626 | 50 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 9459568 | ||
107780 | 1831 | 54 | None | -676 | 18 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
14 | 1831 | 54 | None | -676 | 18 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
CHEMBL15928 | 1831 | 54 | None | -676 | 18 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
133633 | 2228 | 53 | None | -87 | 8 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | 10869410 | ||
177 | 2228 | 53 | None | -87 | 8 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | 10869410 | ||
CHEMBL445102 | 2228 | 53 | None | -87 | 8 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | 10869410 | ||
177336 | 3098 | 50 | None | -1412 | 3 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 11504648 | ||
225 | 3098 | 50 | None | -1412 | 3 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 11504648 | ||
CHEMBL356359 | 3098 | 50 | None | -1412 | 3 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 11504648 | ||
DB04873 | 3098 | 50 | None | -1412 | 3 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 11504648 | ||
1524 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
1524 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
1524 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
1524 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
1524 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
197 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
197 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
197 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
197 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
197 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
3822 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
3822 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
3822 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
3822 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
3822 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
88 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
88 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
88 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
88 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
88 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
CHEMBL51 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
CHEMBL51 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
CHEMBL51 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
CHEMBL51 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
CHEMBL51 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
DB12465 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
DB12465 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
DB12465 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
DB12465 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
DB12465 | 2168 | 96 | None | -229 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
107992 | 2536 | 49 | None | -5 | 10 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 8450835 | ||
165 | 2536 | 49 | None | -5 | 10 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 8450835 | ||
CHEMBL269521 | 2536 | 49 | None | -5 | 10 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 8450835 | ||
DB12111 | 2536 | 49 | None | -5 | 10 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 8450835 | ||
107992 | 2536 | 49 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 12970106 | ||
107992 | 2536 | 49 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 15322733 | ||
165 | 2536 | 49 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 12970106 | ||
165 | 2536 | 49 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 15322733 | ||
CHEMBL269521 | 2536 | 49 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 12970106 | ||
CHEMBL269521 | 2536 | 49 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 15322733 | ||
DB12111 | 2536 | 49 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 12970106 | ||
DB12111 | 2536 | 49 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 15322733 | ||
5268 | 3629 | 40 | None | -1047 | 18 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 9459568 | ||
53 | 3629 | 40 | None | -1047 | 18 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 9459568 | ||
CHEMBL300555 | 3629 | 40 | None | -1047 | 18 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 9459568 | ||
1574 | 81 | 60 | None | -3 | 21 | Rat | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | 8450835 | ||
218 | 81 | 60 | None | -3 | 21 | Rat | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | 8450835 | ||
CHEMBL266591 | 81 | 60 | None | -3 | 21 | Rat | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | 8450835 | ||
198 | 312 | 126 | None | -346 | 6 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 12750432 | ||
82148 | 312 | 126 | None | -346 | 6 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 12750432 | ||
99 | 312 | 126 | None | -346 | 6 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 12750432 | ||
CHEMBL10878 | 312 | 126 | None | -346 | 6 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 12750432 | ||
DB06594 | 312 | 126 | None | -346 | 6 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 12750432 | ||
177336 | 3098 | 50 | None | -1412 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 15466450 | ||
225 | 3098 | 50 | None | -1412 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 15466450 | ||
CHEMBL356359 | 3098 | 50 | None | -1412 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 15466450 | ||
DB04873 | 3098 | 50 | None | -1412 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 15466450 | ||
210 | 3451 | 0 | None | -7 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | 12738034 | ||
2423 | 3451 | 0 | None | -7 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | 12738034 | ||
5160 | 3451 | 0 | None | -7 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | 12738034 | ||
CHEMBL52939 | 3451 | 0 | None | -7 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | 12738034 | ||
DB12163 | 3451 | 0 | None | -7 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | 12738034 | ||
195 | 3544 | 7 | None | -25 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 228 | 0 | 0 | 2 | 2.1 | CN1CC[C@H]2[C@@H](C1)c1cccc3c1N(C2)CC3 | 15322733 | ||
9859407 | 3544 | 7 | None | -25 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 228 | 0 | 0 | 2 | 2.1 | CN1CC[C@H]2[C@@H](C1)c1cccc3c1N(C2)CC3 | 15322733 | ||
CHEMBL316069 | 3544 | 7 | None | -25 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 228 | 0 | 0 | 2 | 2.1 | CN1CC[C@H]2[C@@H](C1)c1cccc3c1N(C2)CC3 | 15322733 | ||
1809 | 134 | 32 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 15322733 | ||
1809 | 134 | 32 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
4 | 134 | 32 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 15322733 | ||
4 | 134 | 32 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
CHEMBL18840 | 134 | 32 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 15322733 | ||
CHEMBL18840 | 134 | 32 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
1809 | 134 | 32 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
1809 | 134 | 32 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8450835 | ||
4 | 134 | 32 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
4 | 134 | 32 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8450835 | ||
CHEMBL18840 | 134 | 32 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
CHEMBL18840 | 134 | 32 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8450835 | ||
129 | 3414 | 10 | None | -562 | 9 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 451 | 7 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)[C@H]1CN(C[C@@H]1CO2)CCCCNC(=O)c1ccc(cc1)c1ccccc1 | 10869410 | ||
9868452 | 3414 | 10 | None | -562 | 9 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 451 | 7 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)[C@H]1CN(C[C@@H]1CO2)CCCCNC(=O)c1ccc(cc1)c1ccccc1 | 10869410 | ||
CHEMBL65280 | 3414 | 10 | None | -562 | 9 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 451 | 7 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)[C@H]1CN(C[C@@H]1CO2)CCCCNC(=O)c1ccc(cc1)c1ccccc1 | 10869410 | ||
193 | 3480 | 46 | None | -707 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 15322733 | ||
193 | 3480 | 46 | None | -707 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 9225286 | ||
3644637 | 3480 | 46 | None | -707 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 15322733 | ||
3644637 | 3480 | 46 | None | -707 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 9225286 | ||
CHEMBL14563 | 3480 | 46 | None | -707 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 15322733 | ||
CHEMBL14563 | 3480 | 46 | None | -707 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 9225286 | ||
228 | 444 | 28 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
33 | 444 | 28 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
6005 | 444 | 28 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
CHEMBL53 | 444 | 28 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
DB00714 | 444 | 28 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
173 | 3238 | 95 | None | -3 | 23 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 8450835 | ||
5011 | 3238 | 95 | None | -3 | 23 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 8450835 | ||
CHEMBL18772 | 3238 | 95 | None | -3 | 23 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 8450835 | ||
108029 | 3389 | 57 | None | -125 | 13 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 15322733 | ||
23 | 3389 | 57 | None | -125 | 13 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 15322733 | ||
CHEMBL18785 | 3389 | 57 | None | -125 | 13 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 15322733 | ||
221 | 3465 | 71 | None | -4 | 14 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 15322733 | ||
3277600 | 3465 | 71 | None | -4 | 14 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 15322733 | ||
CHEMBL323356 | 3465 | 71 | None | -4 | 14 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 15322733 | ||
170 | 2941 | 0 | None | -6 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 265 | 1 | 1 | 3 | 2.2 | FC(c1ccc(nc1Cl)N1CCNCC1)(F)F | 15322733 | ||
9796408 | 2941 | 0 | None | -6 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 265 | 1 | 1 | 3 | 2.2 | FC(c1ccc(nc1Cl)N1CCNCC1)(F)F | 15322733 | ||
CHEMBL506999 | 2941 | 0 | None | -6 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 265 | 1 | 1 | 3 | 2.2 | FC(c1ccc(nc1Cl)N1CCNCC1)(F)F | 15322733 | ||
194 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10737744 | ||
443391 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10737744 | ||
CHEMBL14460 | 3481 | 31 | None | -100 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10737744 | ||
1150 | 3849 | 121 | None | -2 | 25 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 15322733 | ||
1150 | 3849 | 121 | None | -8 | 25 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 8450835 | ||
125 | 3849 | 121 | None | -2 | 25 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 15322733 | ||
125 | 3849 | 121 | None | -8 | 25 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 8450835 | ||
CHEMBL6640 | 3849 | 121 | None | -2 | 25 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 15322733 | ||
CHEMBL6640 | 3849 | 121 | None | -8 | 25 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 8450835 | ||
DB08653 | 3849 | 121 | None | -2 | 25 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 15322733 | ||
DB08653 | 3849 | 121 | None | -8 | 25 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 8450835 | ||
173 | 3238 | 95 | None | 1 | 23 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 15322733 | ||
5011 | 3238 | 95 | None | 1 | 23 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 15322733 | ||
CHEMBL18772 | 3238 | 95 | None | 1 | 23 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 15322733 | ||
115 | 3762 | 80 | None | -2 | 27 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 8450835 | ||
4296 | 3762 | 80 | None | -2 | 27 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 8450835 | ||
CHEMBL274866 | 3762 | 80 | None | -2 | 27 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 8450835 | ||
213 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 11104741 | ||
213 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 15322733 | ||
2717 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 11104741 | ||
2717 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 15322733 | ||
5533 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 11104741 | ||
5533 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 15322733 | ||
CHEMBL621 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 11104741 | ||
CHEMBL621 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 15322733 | ||
DB00656 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 11104741 | ||
DB00656 | 3824 | 55 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 15322733 | ||
115 | 3762 | 80 | None | -1 | 27 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 15322733 | ||
4296 | 3762 | 80 | None | -1 | 27 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 15322733 | ||
CHEMBL274866 | 3762 | 80 | None | -1 | 27 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 15322733 | ||
31101 | 726 | 40 | None | -26 | 36 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
35 | 726 | 40 | None | -26 | 36 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
403 | 726 | 40 | None | -26 | 36 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
CHEMBL493 | 726 | 40 | None | -26 | 36 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
DB01200 | 726 | 40 | None | -26 | 36 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
135 | 2515 | 43 | None | -37 | 58 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 8450835 | ||
1796 | 2515 | 43 | None | -37 | 58 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 8450835 | ||
4184 | 2515 | 43 | None | -37 | 58 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 8450835 | ||
CHEMBL6437 | 2515 | 43 | None | -37 | 58 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 8450835 | ||
DB06148 | 2515 | 43 | None | -37 | 58 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 8450835 | ||
15897 | 2840 | 0 | None | 12 | 37 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
215 | 2840 | 0 | None | 12 | 37 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
CHEMBL1979333 | 2840 | 0 | None | 12 | 37 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
12895728 | 2841 | 0 | None | - | 1 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
217 | 2841 | 0 | None | - | 1 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
CHEMBL250881 | 2841 | 0 | None | - | 1 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
102 | 4096 | 48 | None | -100 | 50 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
3659 | 4096 | 48 | None | -100 | 50 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
8969 | 4096 | 48 | None | -100 | 50 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
CHEMBL15245 | 4096 | 48 | None | -100 | 50 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
DB01392 | 4096 | 48 | None | -100 | 50 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
157 | 2056 | 7 | None | -20 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 15322733 | ||
157 | 2056 | 7 | None | -20 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 9857084 | ||
9840090 | 2056 | 7 | None | -20 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 15322733 | ||
9840090 | 2056 | 7 | None | -20 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 9857084 | ||
CHEMBL134519 | 2056 | 7 | None | -20 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 15322733 | ||
CHEMBL134519 | 2056 | 7 | None | -20 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 9857084 | ||
10 | 720 | 28 | None | -3 | 9 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 406 | 6 | 1 | 3 | 4.7 | Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O | 9303567 | ||
3654103 | 720 | 28 | None | -3 | 9 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 406 | 6 | 1 | 3 | 4.7 | Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O | 9303567 | ||
CHEMBL534232 | 720 | 28 | None | -3 | 9 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 406 | 6 | 1 | 3 | 4.7 | Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O | 9303567 | ||
206 | 2476 | 16 | None | -26 | 25 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 8450835 | ||
68848 | 2476 | 16 | None | -26 | 25 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 8450835 | ||
CHEMBL12314 | 2476 | 16 | None | -26 | 25 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 8450835 | ||
171 | 2943 | 0 | None | -5 | 3 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 233 | 3 | 1 | 3 | 1.9 | COc1ccc2c(c1O[C@@H]1CNCC1)CCC2 | 15322733 | ||
9794656 | 2943 | 0 | None | -5 | 3 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 233 | 3 | 1 | 3 | 1.9 | COc1ccc2c(c1O[C@@H]1CNCC1)CCC2 | 15322733 | ||
136 | 3267 | 32 | None | -63 | 16 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
223 | 3267 | 32 | None | -63 | 16 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
643606 | 3267 | 32 | None | -63 | 16 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
CHEMBL10347 | 3267 | 32 | None | -63 | 16 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
155 | 725 | 25 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 15322733 | ||
155 | 725 | 25 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 9933142 | ||
163 | 725 | 25 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 15322733 | ||
163 | 725 | 25 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 9933142 | ||
62065 | 725 | 25 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 15322733 | ||
62065 | 725 | 25 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 9933142 | ||
CHEMBL6607 | 725 | 25 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 15322733 | ||
CHEMBL6607 | 725 | 25 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 9933142 | ||
DB01484 | 725 | 25 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 15322733 | ||
DB01484 | 725 | 25 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 9933142 | ||
219050 | 3348 | 25 | None | -194 | 21 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
52 | 3348 | 25 | None | -194 | 21 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
CHEMBL431367 | 3348 | 25 | None | -194 | 21 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
168 | 3951 | 15 | None | -3 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 15322733 | ||
6604042 | 3951 | 15 | None | -3 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 15322733 | ||
CHEMBL309760 | 3951 | 15 | None | -3 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 15322733 | ||
153 | 1447 | 9 | None | -25 | 3 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | 15322733 | ||
6603801 | 1447 | 9 | None | -25 | 3 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | 15322733 | ||
CHEMBL1434583 | 1447 | 9 | None | -25 | 3 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | 15322733 | ||
1355 | 1998 | 88 | None | -1 | 16 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 8450835 | ||
142 | 1998 | 88 | None | -1 | 16 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 8450835 | ||
CHEMBL478 | 1998 | 88 | None | -1 | 16 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 8450835 | ||
DB12110 | 1998 | 88 | None | -1 | 16 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 8450835 | ||
102 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10455251 | ||
102 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8078486 | ||
102 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
3659 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10455251 | ||
3659 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8078486 | ||
3659 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
8969 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10455251 | ||
8969 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8078486 | ||
8969 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
CHEMBL15245 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10455251 | ||
CHEMBL15245 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8078486 | ||
CHEMBL15245 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
DB01392 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10455251 | ||
DB01392 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8078486 | ||
DB01392 | 4096 | 48 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
157 | 2056 | 7 | None | -20 | 4 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 12954071 | ||
9840090 | 2056 | 7 | None | -20 | 4 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 12954071 | ||
CHEMBL134519 | 2056 | 7 | None | -20 | 4 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 12954071 | ||
3652 | 4066 | 79 | None | -2 | 18 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
57 | 4066 | 79 | None | -2 | 18 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
60809 | 4066 | 79 | None | -2 | 18 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
CHEMBL21536 | 4066 | 79 | None | -2 | 18 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
DB15357 | 4066 | 79 | None | -2 | 18 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
108029 | 3389 | 57 | None | -15 | 13 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 8450835 | ||
23 | 3389 | 57 | None | -15 | 13 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 8450835 | ||
CHEMBL18785 | 3389 | 57 | None | -15 | 13 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 8450835 | ||
13878025 | 2411 | 0 | None | -19 | 3 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 342 | 3 | 2 | 4 | 2.4 | CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C)O | 8450835 | ||
184 | 2411 | 0 | None | -19 | 3 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 342 | 3 | 2 | 4 | 2.4 | CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C)O | 8450835 | ||
CHEMBL52422 | 2411 | 0 | None | -19 | 3 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 342 | 3 | 2 | 4 | 2.4 | CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C)O | 8450835 | ||
1355 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 11104741 | ||
1355 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 12970106 | ||
1355 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 15322733 | ||
1355 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9459568 | ||
1355 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9933142 | ||
142 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 11104741 | ||
142 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 12970106 | ||
142 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 15322733 | ||
142 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9459568 | ||
142 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9933142 | ||
CHEMBL478 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 11104741 | ||
CHEMBL478 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 12970106 | ||
CHEMBL478 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 15322733 | ||
CHEMBL478 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9459568 | ||
CHEMBL478 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9933142 | ||
DB12110 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 11104741 | ||
DB12110 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 12970106 | ||
DB12110 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 15322733 | ||
DB12110 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9459568 | ||
DB12110 | 1998 | 88 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9933142 | ||
5 | 139 | 72 | None | -29 | 55 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8450835 | ||
5202 | 139 | 72 | None | -29 | 55 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8450835 | ||
CHEMBL39 | 139 | 72 | None | -29 | 55 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8450835 | ||
DB08839 | 139 | 72 | None | -29 | 55 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8450835 | ||
107 | 141 | 121 | None | -12 | 31 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | 8450835 | ||
1833 | 141 | 121 | None | -12 | 31 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | 8450835 | ||
CHEMBL8165 | 141 | 121 | None | -12 | 31 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | 8450835 | ||
152 | 363 | 29 | None | -1 | 19 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8450835 | ||
2107 | 363 | 29 | None | -1 | 19 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8450835 | ||
CHEMBL275854 | 363 | 29 | None | -1 | 19 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8450835 | ||
199 | 391 | 0 | None | -5 | 5 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | 8450835 | ||
9821951 | 391 | 0 | None | -5 | 5 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | 8450835 | ||
CHEMBL160293 | 391 | 0 | None | -5 | 5 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | 8450835 | ||
216 | 2842 | 32 | None | - | 1 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
9815618 | 2842 | 32 | None | - | 1 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
CHEMBL253811 | 2842 | 32 | None | - | 1 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
189 | 3466 | 39 | None | -5 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15322733 | ||
189 | 3466 | 39 | None | -5 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15466450 | ||
5163 | 3466 | 39 | None | -5 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15322733 | ||
5163 | 3466 | 39 | None | -5 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15466450 | ||
CHEMBL297784 | 3466 | 39 | None | -5 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15322733 | ||
CHEMBL297784 | 3466 | 39 | None | -5 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15466450 | ||
192 | 3476 | 54 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10188965 | ||
192 | 3476 | 54 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10737744 | ||
443390 | 3476 | 54 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10188965 | ||
443390 | 3476 | 54 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10737744 | ||
CHEMBL14276 | 3476 | 54 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10188965 | ||
CHEMBL14276 | 3476 | 54 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10737744 | ||
136 | 3267 | 32 | None | -8 | 16 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
223 | 3267 | 32 | None | -8 | 16 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
643606 | 3267 | 32 | None | -8 | 16 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
CHEMBL10347 | 3267 | 32 | None | -8 | 16 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
152 | 363 | 29 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15322733 | ||
152 | 363 | 29 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15466450 | ||
152 | 363 | 29 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8078486 | ||
2107 | 363 | 29 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15322733 | ||
2107 | 363 | 29 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15466450 | ||
2107 | 363 | 29 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8078486 | ||
CHEMBL275854 | 363 | 29 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15322733 | ||
CHEMBL275854 | 363 | 29 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15466450 | ||
CHEMBL275854 | 363 | 29 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8078486 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 11104741 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 12954071 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15322733 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15466450 | ||
5 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8078486 | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 11104741 | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 12954071 | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15322733 | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15466450 | ||
5202 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8078486 | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 11104741 | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 12954071 | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15322733 | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15466450 | ||
CHEMBL39 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8078486 | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 11104741 | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 12954071 | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15322733 | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15466450 | ||
DB08839 | 139 | 72 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8078486 | ||
183 | 2409 | 0 | None | -5 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 8450835 | ||
3034814 | 2409 | 0 | None | -5 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 8450835 | ||
CHEMBL1356280 | 2409 | 0 | None | -5 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 8450835 | ||
133 | 2479 | 52 | None | -12 | 43 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 8450835 | ||
1723 | 2479 | 52 | None | -12 | 43 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 8450835 | ||
28693 | 2479 | 52 | None | -12 | 43 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 8450835 | ||
CHEMBL19215 | 2479 | 52 | None | -12 | 43 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 8450835 | ||
DB13520 | 2479 | 52 | None | -12 | 43 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 8450835 | ||
134 | 2497 | 24 | None | -12 | 68 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 8450835 | ||
1775 | 2497 | 24 | None | -12 | 68 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 8450835 | ||
9681 | 2497 | 24 | None | -12 | 68 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 8450835 | ||
CHEMBL1065 | 2497 | 24 | None | -12 | 68 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 8450835 | ||
DB00247 | 2497 | 24 | None | -12 | 68 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 8450835 | ||
2105 | 3032 | 37 | None | -28 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
47811 | 3032 | 37 | None | -28 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
48 | 3032 | 37 | None | -28 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
CHEMBL531 | 3032 | 37 | None | -28 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
DB01186 | 3032 | 37 | None | -28 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
2601 | 3751 | 33 | None | -8 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
443951 | 3751 | 33 | None | -8 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
56 | 3751 | 33 | None | -8 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
CHEMBL73151 | 3751 | 33 | None | -8 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
DB13399 | 3751 | 33 | None | -8 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
10331436 | 323 | 10 | None | -2 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 12954071 | ||
160 | 323 | 10 | None | -2 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 12954071 | ||
CHEMBL133455 | 323 | 10 | None | -2 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 12954071 | ||
1621 | 2413 | 17 | None | -39 | 45 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12213075 | ||
17 | 2413 | 17 | None | -39 | 45 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12213075 | ||
5761 | 2413 | 17 | None | -39 | 45 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12213075 | ||
CHEMBL263881 | 2413 | 17 | None | -39 | 45 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12213075 | ||
DB04829 | 2413 | 17 | None | -39 | 45 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12213075 | ||
5074 | 3307 | 80 | None | -8 | 30 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 8450835 | ||
97 | 3307 | 80 | None | -8 | 30 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 8450835 | ||
CHEMBL267777 | 3307 | 80 | None | -8 | 30 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 8450835 | ||
DB12693 | 3307 | 80 | None | -8 | 30 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 8450835 | ||
10449757 | 3469 | 35 | None | 3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10188965 | ||
190 | 3469 | 35 | None | 3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10188965 | ||
CHEMBL2110371 | 3469 | 35 | None | 3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10188965 | ||
1342 | 36 | 49 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
1342 | 36 | 49 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8450835 | ||
3 | 36 | 49 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
3 | 36 | 49 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8450835 | ||
CHEMBL277120 | 36 | 49 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
CHEMBL277120 | 36 | 49 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8450835 | ||
135398737 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15322733 | ||
135398737 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9459568 | ||
135398737 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9732398 | ||
38 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15322733 | ||
38 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9459568 | ||
38 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9732398 | ||
722 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15322733 | ||
722 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9459568 | ||
722 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9732398 | ||
CHEMBL42 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15322733 | ||
CHEMBL42 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9459568 | ||
CHEMBL42 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9732398 | ||
DB00363 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15322733 | ||
DB00363 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9459568 | ||
DB00363 | 955 | 93 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9732398 | ||
167 | 3405 | 0 | None | -3 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 385 | 7 | 0 | 5 | 3.6 | Fc1ccc(cc1)C(=O)CC1CCN(C1)CCOc1cccc2c1OCCO2 | 9732398 | ||
9821498 | 3405 | 0 | None | -3 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 385 | 7 | 0 | 5 | 3.6 | Fc1ccc(cc1)C(=O)CC1CCN(C1)CCOc1cccc2c1OCCO2 | 9732398 | ||
135409453 | 3744 | 41 | None | 2 | 2 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 15466450 | ||
226 | 3744 | 41 | None | 2 | 2 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 15466450 | ||
CHEMBL76370 | 3744 | 41 | None | 2 | 2 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 15466450 | ||
191 | 3472 | 52 | None | -1 | 3 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 15322733 | ||
443389 | 3472 | 52 | None | -1 | 3 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 15322733 | ||
CHEMBL276140 | 3472 | 52 | None | -1 | 3 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 15322733 | ||
206 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15107597 | ||
206 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15322733 | ||
206 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 9459568 | ||
68848 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15107597 | ||
68848 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15322733 | ||
68848 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 9459568 | ||
CHEMBL12314 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15107597 | ||
CHEMBL12314 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15322733 | ||
CHEMBL12314 | 2476 | 16 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 9459568 | ||
1342 | 36 | 49 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
1342 | 36 | 49 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 9459568 | ||
3 | 36 | 49 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
3 | 36 | 49 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 9459568 | ||
CHEMBL277120 | 36 | 49 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
CHEMBL277120 | 36 | 49 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 9459568 | ||
1043 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 11104741 | ||
1043 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 15322733 | ||
149 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 11104741 | ||
149 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 15322733 | ||
8223 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 11104741 | ||
8223 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 15322733 | ||
CHEMBL442 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 11104741 | ||
CHEMBL442 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 15322733 | ||
DB00696 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 11104741 | ||
DB00696 | 1569 | 14 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 15322733 | ||
133 | 2479 | 52 | None | -2 | 43 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 15322733 | ||
1723 | 2479 | 52 | None | -2 | 43 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 15322733 | ||
28693 | 2479 | 52 | None | -2 | 43 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 15322733 | ||
CHEMBL19215 | 2479 | 52 | None | -2 | 43 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 15322733 | ||
DB13520 | 2479 | 52 | None | -2 | 43 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 15322733 | ||
37 | 775 | 60 | None | 1 | 17 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
460 | 775 | 60 | None | 1 | 17 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
54746 | 775 | 60 | None | 1 | 17 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
CHEMBL1201087 | 775 | 60 | None | 1 | 17 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
DB00248 | 775 | 60 | None | 1 | 17 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
1588 | 2311 | 27 | None | -6 | 44 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
28864 | 2311 | 27 | None | -6 | 44 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
43 | 2311 | 27 | None | -6 | 44 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
CHEMBL157138 | 2311 | 27 | None | -6 | 44 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
DB00589 | 2311 | 27 | None | -6 | 44 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
4106 | 2485 | 22 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 15322733 | ||
4106 | 2485 | 22 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 9459568 | ||
5358812 | 2485 | 22 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 15322733 | ||
5358812 | 2485 | 22 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 9459568 | ||
89 | 2485 | 22 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 15322733 | ||
89 | 2485 | 22 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 9459568 | ||
CHEMBL93240 | 2485 | 22 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 15322733 | ||
CHEMBL93240 | 2485 | 22 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 9459568 | ||
5074 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10188965 | ||
5074 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10455251 | ||
5074 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 15322733 | ||
5074 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 9459568 | ||
97 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10188965 | ||
97 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10455251 | ||
97 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 15322733 | ||
97 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 9459568 | ||
CHEMBL267777 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10188965 | ||
CHEMBL267777 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10455251 | ||
CHEMBL267777 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 15322733 | ||
CHEMBL267777 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 9459568 | ||
DB12693 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10188965 | ||
DB12693 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10455251 | ||
DB12693 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 15322733 | ||
DB12693 | 3307 | 80 | None | -2 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 9459568 | ||
183 | 2409 | 0 | None | 2 | 4 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 9459568 | ||
3034814 | 2409 | 0 | None | 2 | 4 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 9459568 | ||
CHEMBL1356280 | 2409 | 0 | None | 2 | 4 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 9459568 | ||
154 | 2344 | 0 | None | -1 | 4 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 15322733 | ||
638252 | 2344 | 0 | None | -1 | 4 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 15322733 | ||
150 | 2492 | 21 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 11104741 | ||
150 | 2492 | 21 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 15322733 | ||
1764 | 2492 | 21 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 11104741 | ||
1764 | 2492 | 21 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 15322733 | ||
8226 | 2492 | 21 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 11104741 | ||
8226 | 2492 | 21 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 15322733 | ||
CHEMBL1201356 | 2492 | 21 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 11104741 | ||
CHEMBL1201356 | 2492 | 21 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 15322733 | ||
DB00353 | 2492 | 21 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 11104741 | ||
DB00353 | 2492 | 21 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 15322733 |