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 |
1222 | 1651 | 49 | None | -23 | 25 | Human | 6.0 | pAC50 | = | 6 | 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 | -23 | 25 | Human | 6.0 | pAC50 | = | 6 | 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 | -23 | 25 | Human | 6.0 | pAC50 | = | 6 | 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 | -23 | 25 | Human | 6.0 | pAC50 | = | 6 | 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 | -23 | 25 | Human | 6.0 | pAC50 | = | 6 | 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 | ||
2337 | 3232 | 77 | None | -8 | 29 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
50 | 3232 | 77 | None | -8 | 29 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
5002 | 3232 | 77 | None | -8 | 29 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL716 | 3232 | 77 | None | -8 | 29 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB01224 | 3232 | 77 | None | -8 | 29 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
5328940 | 100188 | 107 | None | -1 | 23 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL288441 | 100188 | 107 | None | -1 | 23 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
42890 | 9393 | 59 | None | -1 | 13 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1117 | 9393 | 59 | None | -1 | 13 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | ||
2162 | 41484 | 100 | None | -3 | 22 | Human | 5.0 | pAC50 | = | 5 | 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 | -3 | 22 | Human | 5.0 | pAC50 | = | 5 | 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 | ||
47979 | 78181 | 59 | None | -3311 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 0.7 | C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL2105581 | 78181 | 59 | None | -3311 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 0.7 | C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
2105 | 3032 | 37 | None | -251 | 25 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -251 | 25 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -251 | 25 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -251 | 25 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -251 | 25 | Human | 6.0 | pAC50 | = | 6.0 | 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 | ||
4209 | 3141 | 75 | None | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | 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 | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | 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 | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | 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 | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | 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 | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | 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 | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
5472 | 205795 | 75 | None | -1 | 16 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1717 | 205795 | 75 | None | -1 | 16 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL833 | 205795 | 75 | None | -1 | 16 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
1028 | 289 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
139148732 | 289 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
479 | 289 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
5816 | 289 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL679 | 289 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
DB00668 | 289 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
5360696 | 1394 | 30 | None | -1737 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | 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 | -1737 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | 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 | -1737 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | 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 | -1737 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | 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 | -1737 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | 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 | ||
2200 | 20171 | 61 | None | -6 | 12 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1256819 | 20171 | 61 | None | -6 | 12 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1305 | 20171 | 61 | None | -6 | 12 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
6436173 | 55086 | 45 | None | -3 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1617 | 55086 | 45 | None | -3 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
108000 | 56823 | 39 | None | -32 | 5 | Human | 5.0 | pAC50 | = | 5.0 | 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 | -32 | 5 | Human | 5.0 | pAC50 | = | 5.0 | 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 | -32 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.9 | Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
55645 | 84341 | 8 | None | -3890 | 11 | Human | 5.0 | pAC50 | = | 5.0 | 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 | -3890 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
135398735 | 136943 | 32 | None | -4 | 27 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
136262914 | 136943 | 32 | None | -4 | 27 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL374478 | 136943 | 32 | None | -4 | 27 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
4976 | 203556 | 29 | None | -1230 | 15 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL668 | 203556 | 29 | None | -1230 | 15 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
242 | 469 | 124 | None | -32 | 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 | -32 | 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 | -32 | 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 | -32 | 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 | -32 | 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 | ||
213046 | 2370 | 59 | None | -69 | 17 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -69 | 17 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -69 | 17 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -69 | 17 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -69 | 17 | Human | 6.0 | pAC50 | = | 6.0 | 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 | ||
443955 | 204347 | 92 | None | 2 | 8 | Human | 6.0 | pAC50 | = | 6.0 | 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 | 2 | 8 | Human | 6.0 | pAC50 | = | 6.0 | 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 | ||
1613 | 2333 | 53 | None | -144 | 34 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
205 | 2333 | 53 | None | -144 | 34 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
3964 | 2333 | 53 | None | -144 | 34 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL831 | 2333 | 53 | None | -144 | 34 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
DB00408 | 2333 | 53 | None | -144 | 34 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
11626560 | 200914 | 94 | None | -1 | 14 | Human | 5.9 | pAC50 | = | 5.9 | 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 | 5.9 | pAC50 | = | 5.9 | 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 | ||
55483 | 205074 | 40 | None | -7 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 356 | 13 | 4 | 4 | 3.6 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | 10.1038/s41467-023-40064-9 | ||
CHEMBL77622 | 205074 | 40 | None | -7 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 356 | 13 | 4 | 4 | 3.6 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | 10.1038/s41467-023-40064-9 | ||
2540 | 4369 | 111 | None | -1737 | 28 | Human | 4.9 | pAC50 | = | 4.9 | 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 | -1737 | 28 | Human | 4.9 | pAC50 | = | 4.9 | 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 | ||
8550 | 14392 | 57 | None | -1 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 578 | 7 | 1 | 9 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200515 | 14392 | 57 | None | -1 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 578 | 7 | 1 | 9 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | ||
131411 | 15360 | 70 | None | -4 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 6 | 5.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 | 10.1038/s41467-023-40064-9 | ||
28446253 | 15360 | 70 | None | -4 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 6 | 5.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1214598 | 15360 | 70 | None | -4 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 6 | 5.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 | 10.1038/s41467-023-40064-9 | ||
11291 | 98768 | 25 | None | -331 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 261 | 1 | 0 | 1 | 3.9 | CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL278398 | 98768 | 25 | None | -331 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 261 | 1 | 0 | 1 | 3.9 | CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
2583 | 3747 | 118 | None | -7079 | 16 | Human | 4.9 | pAC50 | = | 4.9 | 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 | -7079 | 16 | Human | 4.9 | pAC50 | = | 4.9 | 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 | -7079 | 16 | Human | 4.9 | pAC50 | = | 4.9 | 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 | -7079 | 16 | Human | 4.9 | pAC50 | = | 4.9 | 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 | -7079 | 16 | Human | 4.9 | pAC50 | = | 4.9 | 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 | ||
71496458 | 115538 | 87 | None | -33 | 16 | Human | 4.9 | pAC50 | = | 4.9 | 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 | -33 | 16 | Human | 4.9 | pAC50 | = | 4.9 | 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 | ||
104850 | 3305 | 96 | None | -1122 | 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 | -1122 | 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 | -1122 | 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 | -1122 | 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 | -1122 | 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 | ||
5282175 | 14400 | 36 | None | -14 | 4 | Human | 4.9 | pAC50 | = | 4.9 | 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 | -14 | 4 | Human | 4.9 | pAC50 | = | 4.9 | 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 | ||
65948 | 18524 | 109 | None | -5 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1275868 | 18524 | 109 | None | -5 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
2794 | 19348 | 85 | None | -14 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 472 | 4 | 1 | 4 | 7.5 | CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1292 | 19348 | 85 | None | -14 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 472 | 4 | 1 | 4 | 7.5 | CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
7028 | 52350 | 22 | None | -102 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@@H](C)[C@@H](O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1590 | 52350 | 22 | None | -102 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@@H](C)[C@@H](O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2467 | 67395 | 51 | None | -3 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 307 | 8 | 0 | 5 | 2.8 | COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL188921 | 67395 | 51 | None | -3 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 307 | 8 | 0 | 5 | 2.8 | COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 | 10.1038/s41467-023-40064-9 | ||
2375 | 158370 | 106 | None | -5 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 430 | 5 | 2 | 5 | 2.9 | CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL409 | 158370 | 106 | None | -5 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 430 | 5 | 2 | 5 | 2.9 | CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
37264 | 189398 | 24 | None | -8 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 435 | 6 | 2 | 10 | 1.3 | COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL513301 | 189398 | 24 | None | -8 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 435 | 6 | 2 | 10 | 1.3 | COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
68867 | 78144 | 38 | None | -61 | 13 | Human | 5.9 | pAC50 | = | 5.9 | 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 | -61 | 13 | Human | 5.9 | pAC50 | = | 5.9 | 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 | ||
68602 | 205103 | 80 | None | -11 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL77921 | 205103 | 80 | None | -11 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | 10.1038/s41467-023-40064-9 | ||
2683 | 3805 | 60 | None | -5 | 6 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
5487 | 3805 | 60 | None | -5 | 6 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
7308 | 3805 | 60 | None | -5 | 6 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1079 | 3805 | 60 | None | -5 | 6 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
DB00697 | 3805 | 60 | None | -5 | 6 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
4066 | 204603 | 78 | None | -870 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL73451 | 204603 | 78 | None | -870 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
1043 | 1569 | 14 | None | -208 | 23 | Human | 6.9 | pAC50 | = | 6.9 | Functional | 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 | 10.1038/s41467-023-40064-9 | ||
149 | 1569 | 14 | None | -208 | 23 | Human | 6.9 | pAC50 | = | 6.9 | Functional | 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 | 10.1038/s41467-023-40064-9 | ||
8223 | 1569 | 14 | None | -208 | 23 | Human | 6.9 | pAC50 | = | 6.9 | Functional | 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 | 10.1038/s41467-023-40064-9 | ||
CHEMBL442 | 1569 | 14 | None | -208 | 23 | Human | 6.9 | pAC50 | = | 6.9 | Functional | 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 | 10.1038/s41467-023-40064-9 | ||
DB00696 | 1569 | 14 | None | -208 | 23 | Human | 6.9 | pAC50 | = | 6.9 | Functional | 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 | 10.1038/s41467-023-40064-9 | ||
202 | 1496 | 77 | None | 1 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
60835 | 1496 | 77 | None | 1 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
972 | 1496 | 77 | None | 1 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1175 | 1496 | 77 | None | 1 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00476 | 1496 | 77 | None | 1 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
124 | 2960 | 47 | None | -144 | 25 | Human | 5.9 | pAC50 | = | 5.9 | 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 | -144 | 25 | Human | 5.9 | pAC50 | = | 5.9 | 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 | -144 | 25 | Human | 5.9 | pAC50 | = | 5.9 | 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 | -144 | 25 | Human | 5.9 | pAC50 | = | 5.9 | 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 | -144 | 25 | Human | 5.9 | pAC50 | = | 5.9 | 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 | ||
2274 | 3151 | 58 | None | -22 | 37 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
4917 | 3151 | 58 | None | -22 | 37 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
7279 | 3151 | 58 | None | -22 | 37 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL728 | 3151 | 58 | None | -22 | 37 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
DB00433 | 3151 | 58 | None | -22 | 37 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
212 | 3777 | 47 | None | -524 | 22 | Human | 5.9 | pAC50 | = | 5.9 | 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 | -524 | 22 | Human | 5.9 | pAC50 | = | 5.9 | 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 | -524 | 22 | Human | 5.9 | pAC50 | = | 5.9 | 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 | -524 | 22 | Human | 5.9 | pAC50 | = | 5.9 | 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 | -524 | 22 | Human | 5.9 | pAC50 | = | 5.9 | 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 | ||
56959 | 31526 | 103 | None | 3 | 9 | Human | 5.9 | pAC50 | = | 5.9 | 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 | 3 | 9 | Human | 5.9 | pAC50 | = | 5.9 | 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 | 3 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
70691408 | 78183 | 0 | None | 3 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 326 | 1 | 2 | 4 | 1.6 | CCC1C2CC3C4N(C)c5ccccc5C45CC(C2[C@H]5O)N3C1O | 10.1038/s41467-023-40064-9 | ||
CHEMBL2105617 | 78183 | 0 | None | 3 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 326 | 1 | 2 | 4 | 1.6 | CCC1C2CC3C4N(C)c5ccccc5C45CC(C2[C@H]5O)N3C1O | 10.1038/s41467-023-40064-9 | ||
4640 | 78237 | 30 | None | -11 | 11 | Human | 5.9 | pAC50 | = | 5.9 | 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 | -11 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
243 | 3180 | 91 | None | -1202 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
3052762 | 3180 | 91 | None | -1202 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
3502 | 3180 | 91 | None | -1202 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL117287 | 3180 | 91 | None | -1202 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
DB06480 | 3180 | 91 | None | -1202 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
67462786 | 120491 | 56 | None | -3 | 6 | Human | 4.9 | pAC50 | = | 4.9 | 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 | -3 | 6 | Human | 4.9 | pAC50 | = | 4.9 | 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 | ||
122282 | 133484 | 57 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 198 | 0 | 0 | 2 | -0.4 | CN1C(=O)N(C)C2C1N(C)C(=O)N2C | 10.1038/s41467-023-40064-9 | ||
CHEMBL3707390 | 133484 | 57 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 198 | 0 | 0 | 2 | -0.4 | CN1C(=O)N(C)C2C1N(C)C(=O)N2C | 10.1038/s41467-023-40064-9 | ||
3198 | 205490 | 76 | None | -50 | 37 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201049 | 205490 | 76 | None | -50 | 37 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL808 | 205490 | 76 | None | -50 | 37 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
137 | 369 | 52 | None | -6606 | 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 | -6606 | 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 | -6606 | 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 | -6606 | 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 | -6606 | 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 | -6606 | 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 | ||
2343 | 14422 | 57 | None | 1 | 4 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 2.2 | NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201039 | 14422 | 57 | None | 1 | 4 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 2.2 | NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O | 10.1038/s41467-023-40064-9 | ||
165193 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
2303 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
4946 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
564 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
62882 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
63 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
66366 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
91536 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL27 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL452861 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
DB00571 | 3165 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
65859 | 19017 | 88 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 236 | 4 | 2 | 4 | 0.2 | OC[C@@H](O)CN1CCN(c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1288810 | 19017 | 88 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 236 | 4 | 2 | 4 | 0.2 | OC[C@@H](O)CN1CCN(c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
5468 | 127202 | 85 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 260 | 4 | 1 | 3 | 3.2 | CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL365795 | 127202 | 85 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 260 | 4 | 1 | 3 | 3.2 | CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1 | 10.1038/s41467-023-40064-9 | ||
31101 | 726 | 40 | None | -323 | 29 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -323 | 29 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -323 | 29 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -323 | 29 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -323 | 29 | Human | 5.8 | pAC50 | = | 5.8 | 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 | ||
5311507 | 194792 | 41 | None | -13 | 12 | Human | 6.8 | pAC50 | = | 6.8 | 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 | -13 | 12 | Human | 6.8 | pAC50 | = | 6.8 | 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 | -18 | 23 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -18 | 23 | Human | 5.8 | pAC50 | = | 5.8 | 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 | ||
1547484 | 937 | 74 | None | -38 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
654 | 937 | 74 | None | -38 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
9072 | 937 | 74 | None | -38 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL43064 | 937 | 74 | None | -38 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00568 | 937 | 74 | None | -38 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2600 | 3750 | 74 | None | -223 | 32 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -223 | 32 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -223 | 32 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -223 | 32 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -223 | 32 | Human | 4.8 | pAC50 | = | 4.8 | 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 | ||
2812 | 4747 | 101 | None | -165 | 44 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL104 | 4747 | 101 | None | -165 | 44 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
54454 | 5226 | 88 | None | -6 | 14 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -6 | 14 | Human | 4.8 | pAC50 | = | 4.8 | 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 | ||
4260 | 52528 | 31 | None | -14 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL159226 | 52528 | 31 | None | -14 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | 10.1038/s41467-023-40064-9 | ||
4450 | 178204 | 69 | None | -24 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(c2ccccc2)c2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL465026 | 178204 | 69 | None | -24 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(c2ccccc2)c2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
4746 | 204868 | 31 | None | -15 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1334033 | 204868 | 31 | None | -15 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL75880 | 204868 | 31 | None | -15 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
168871 | 89101 | 14 | None | -1 | 13 | Human | 7.8 | pAC50 | = | 7.8 | 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 | -1 | 13 | Human | 7.8 | pAC50 | = | 7.8 | 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 | ||
2342 | 596 | 39 | None | -5 | 8 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -5 | 8 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -5 | 8 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -5 | 8 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -5 | 8 | Human | 5.8 | pAC50 | = | 5.8 | 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 | ||
150 | 2492 | 21 | None | -676 | 17 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -676 | 17 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -676 | 17 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -676 | 17 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -676 | 17 | Human | 5.8 | pAC50 | = | 5.8 | 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 | ||
24826799 | 10766 | 104 | None | -53 | 20 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -53 | 20 | Human | 4.8 | pAC50 | = | 4.8 | 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 | ||
5039 | 63153 | 17 | None | -74 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1790041 | 63153 | 17 | None | -74 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | ||
49846579 | 106142 | 102 | None | -7 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 867 | 13 | 3 | 11 | 8.7 | CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3137309 | 106142 | 102 | None | -7 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 867 | 13 | 3 | 11 | 8.7 | CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 | 10.1038/s41467-023-40064-9 | ||
3947 | 206372 | 53 | None | -26 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL87708 | 206372 | 53 | None | -26 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
30323 | 62455 | 57 | None | -8 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1563 | 62455 | 57 | None | -8 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL178 | 62455 | 57 | None | -8 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
5329102 | 194703 | 86 | None | -16 | 37 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -16 | 37 | Human | 5.8 | pAC50 | = | 5.8 | 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 | ||
124087 | 1377 | 114 | None | -407 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
7157 | 1377 | 114 | None | -407 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
814 | 1377 | 114 | None | -407 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1172 | 1377 | 114 | None | -407 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
DB00967 | 1377 | 114 | None | -407 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
441074 | 19382 | 82 | None | -13 | 11 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -13 | 11 | Human | 4.8 | pAC50 | = | 4.8 | 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 | ||
3294 | 1993 | 111 | None | -18 | 23 | Human | 7.8 | pAC50 | = | 7.8 | 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 | -18 | 23 | Human | 7.8 | pAC50 | = | 7.8 | 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 | -18 | 23 | Human | 7.8 | pAC50 | = | 7.8 | 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 | -18 | 23 | Human | 7.8 | pAC50 | = | 7.8 | 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 | -18 | 23 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
2713 | 205248 | 82 | None | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | 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 | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | 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 | ||
103 | 4122 | 61 | None | -316 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
2875 | 4122 | 61 | None | -316 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
5736 | 4122 | 61 | None | -316 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL285802 | 4122 | 61 | None | -316 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
DB09225 | 4122 | 61 | None | -316 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
1201549 | 594 | 24 | None | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | 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 | ||
12574 | 2587 | 88 | None | -26 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
4810 | 2587 | 88 | None | -26 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL19236 | 2587 | 88 | None | -26 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
DB09242 | 2587 | 88 | None | -26 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
5318 | 15544 | 49 | None | -5 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200348 | 15544 | 49 | None | -5 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1221 | 15544 | 49 | None | -5 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
3062316 | 33545 | 121 | None | -3 | 10 | Human | 4.7 | pAC50 | = | 4.7 | 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 | -3 | 10 | Human | 4.7 | pAC50 | = | 4.7 | 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 | ||
16363 | 593 | 53 | None | -363 | 21 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -363 | 21 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -363 | 21 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -363 | 21 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -363 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
135398737 | 955 | 93 | None | -6 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
38 | 955 | 93 | None | -6 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
722 | 955 | 93 | None | -6 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL42 | 955 | 93 | None | -6 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00363 | 955 | 93 | None | -6 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
4418 | 34192 | 85 | None | -3 | 18 | Human | 6.7 | pAC50 | = | 6.7 | 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 | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
118422671 | 2737 | 65 | None | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | 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 | ||
214 | 3831 | 58 | None | -134 | 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 | -134 | 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 | -134 | 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 | -134 | 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 | -134 | 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 | -134 | 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 | ||
2335 | 11816 | 22 | None | -14 | 34 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -14 | 34 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -14 | 34 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -14 | 34 | Human | 5.7 | pAC50 | = | 5.7 | 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 | ||
CHEMBL2103737 | 78111 | 0 | None | -3 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
1830 | 2572 | 44 | None | -58 | 11 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -58 | 11 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -58 | 11 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -58 | 11 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -58 | 11 | Human | 5.7 | pAC50 | = | 5.7 | Functional | 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 | -3981 | 9 | Human | 4.7 | pAC50 | = | 4.7 | 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 | -3981 | 9 | Human | 4.7 | pAC50 | = | 4.7 | 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 | -3981 | 9 | Human | 4.7 | pAC50 | = | 4.7 | 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 | -3981 | 9 | Human | 4.7 | pAC50 | = | 4.7 | 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 | -3981 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
3236 | 67579 | 43 | None | -1 | 7 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1902981 | 67579 | 43 | None | -1 | 7 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
1427 | 2000 | 54 | None | -2691 | 30 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
357 | 2000 | 54 | None | -2691 | 30 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
3696 | 2000 | 54 | None | -2691 | 30 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL11 | 2000 | 54 | None | -2691 | 30 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00458 | 2000 | 54 | None | -2691 | 30 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
2136 | 3073 | 30 | None | -41 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
4768 | 3073 | 30 | None | -41 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
7268 | 3073 | 30 | None | -41 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL753 | 3073 | 30 | None | -41 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00925 | 3073 | 30 | None | -41 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2220 | 3112 | 82 | None | -758 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
27400 | 3112 | 82 | None | -758 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
93 | 3112 | 82 | None | -758 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL294951 | 3112 | 82 | None | -758 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
DB06153 | 3112 | 82 | None | -758 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
4031 | 99285 | 28 | None | -3 | 12 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 429 | 13 | 0 | 6 | 4.6 | CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL282121 | 99285 | 28 | None | -3 | 12 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 429 | 13 | 0 | 6 | 4.6 | CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1 | 10.1038/s41467-023-40064-9 | ||
16351 | 102703 | 47 | None | -338 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL304902 | 102703 | 47 | None | -338 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
2780 | 110502 | 36 | None | -218 | 11 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -218 | 11 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 373 | 5 | 2 | 4 | 3.3 | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
11511120 | 78365 | 86 | None | -2 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 469 | 7 | 2 | 6 | 5.2 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2110732 | 78365 | 86 | None | -2 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 469 | 7 | 2 | 6 | 5.2 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
107771 | 120222 | 49 | None | -1 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 517 | 7 | 2 | 7 | 6.1 | COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL35228 | 120222 | 49 | None | -1 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 517 | 7 | 2 | 7 | 6.1 | COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 | 10.1038/s41467-023-40064-9 | ||
3052776 | 206533 | 90 | None | -2 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 171 | 2 | 1 | 1 | 1.9 | C#CCN[C@@H]1CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL887 | 206533 | 90 | None | -2 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 171 | 2 | 1 | 1 | 1.9 | C#CCN[C@@H]1CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
65709 | 59851 | 39 | None | -8 | 13 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 365 | 8 | 0 | 5 | 3.3 | CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1729803 | 59851 | 39 | None | -8 | 13 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 365 | 8 | 0 | 5 | 3.3 | CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
25181577 | 78190 | 56 | None | -7 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2105695 | 78190 | 56 | None | -7 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | ||
2435 | 719 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
395 | 719 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
520 | 719 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
5386 | 719 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL844 | 719 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
DB00484 | 719 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
5440 | 28693 | 37 | None | -707 | 16 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1378 | 28693 | 37 | None | -707 | 16 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
154257 | 178595 | 67 | None | 4 | 19 | Human | 6.7 | pAC50 | = | 6.7 | 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 | 4 | 19 | Human | 6.7 | pAC50 | = | 6.7 | 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 | ||
10219 | 188772 | 37 | None | -1 | 10 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL493439 | 188772 | 37 | None | -1 | 10 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL50588 | 188772 | 37 | None | -1 | 10 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
1400 | 1944 | 70 | None | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2169 | 44817 | 35 | None | -38 | 12 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -38 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
9801 | 91556 | 35 | None | -6 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL24072 | 91556 | 35 | None | -6 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
1164 | 1617 | 26 | None | -3235 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 336 | 6 | 0 | 2 | 4.1 | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
1626 | 1617 | 26 | None | -3235 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 336 | 6 | 0 | 2 | 4.1 | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3345 | 1617 | 26 | None | -3235 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 336 | 6 | 0 | 2 | 4.1 | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL596 | 1617 | 26 | None | -3235 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 336 | 6 | 0 | 2 | 4.1 | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00813 | 1617 | 26 | None | -3235 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 336 | 6 | 0 | 2 | 4.1 | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3658 | 4076 | 53 | None | -12 | 18 | Human | 6.6 | pAC50 | = | 6.6 | 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 | -12 | 18 | Human | 6.6 | pAC50 | = | 6.6 | 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 | -12 | 18 | Human | 6.6 | pAC50 | = | 6.6 | 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 | -12 | 18 | Human | 6.6 | pAC50 | = | 6.6 | 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 | -12 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
5591 | 157507 | 90 | None | -14 | 17 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -14 | 17 | Human | 4.6 | pAC50 | = | 4.6 | 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 | ||
2267 | 557 | 71 | None | -100 | 14 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -100 | 14 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -100 | 14 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -100 | 14 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -100 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
2318 | 154832 | 29 | None | -3 | 15 | Human | 5.6 | pAC50 | = | 5.6 | 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 | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2803 | 952 | 58 | None | -15 | 14 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
516 | 952 | 58 | None | -15 | 14 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
704 | 952 | 58 | None | -15 | 14 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL134 | 952 | 58 | None | -15 | 14 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
DB00575 | 952 | 58 | None | -15 | 14 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
11434515 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
11519741 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
4484 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
7449 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1194325 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
DB08897 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
2131 | 57377 | 25 | None | -3 | 7 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 536 | 14 | 2 | 2 | 4.6 | CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL1652 | 57377 | 25 | None | -3 | 7 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 536 | 14 | 2 | 2 | 4.6 | CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
54682461 | 84657 | 62 | None | -5 | 12 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -5 | 12 | Human | 4.6 | pAC50 | = | 4.6 | 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 | ||
1343 | 1876 | 62 | None | -11 | 12 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -11 | 12 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -11 | 12 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -11 | 12 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -11 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
25102847 | 78192 | 93 | None | -21 | 10 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -21 | 10 | Human | 4.6 | pAC50 | = | 4.6 | 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 | ||
65700 | 78231 | 28 | None | -77 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 3.3 | CNC1Cc2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2106919 | 78231 | 28 | None | -77 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 3.3 | CNC1Cc2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
2333 | 142310 | 97 | None | -22 | 14 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -22 | 14 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
10531 | 1408 | 21 | None | -19 | 26 | Human | 7.6 | pAC50 | = | 7.6 | 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 | -19 | 26 | Human | 7.6 | pAC50 | = | 7.6 | 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 | -19 | 26 | Human | 7.6 | pAC50 | = | 7.6 | 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 | -19 | 26 | Human | 7.6 | pAC50 | = | 7.6 | 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 | -19 | 26 | Human | 7.6 | pAC50 | = | 7.6 | 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 | ||
1960 | 2838 | 67 | None | -11 | 19 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
439260 | 2838 | 67 | None | -11 | 19 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
505 | 2838 | 67 | None | -11 | 19 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1437 | 2838 | 67 | None | -11 | 19 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
DB00368 | 2838 | 67 | None | -11 | 19 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
5282136 | 60254 | 73 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 431 | 11 | 1 | 6 | 2.7 | O=C(C[S+]([O-])Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1742461 | 60254 | 73 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 431 | 11 | 1 | 6 | 2.7 | O=C(C[S+]([O-])Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 | 10.1038/s41467-023-40064-9 | ||
9429 | 202110 | 58 | None | -275 | 18 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL609109 | 202110 | 58 | None | -275 | 18 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
260 | 3840 | 54 | None | -26 | 9 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -26 | 9 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -26 | 9 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -26 | 9 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -26 | 9 | Human | 4.6 | pAC50 | = | 4.6 | 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 | ||
60065 | 84340 | 6 | None | -17 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2218858 | 84340 | 6 | None | -17 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL4743867 | 214010 | 14 | None | -89 | 15 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||||
1028 | 289 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
139148732 | 289 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
479 | 289 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
5816 | 289 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL679 | 289 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
DB00668 | 289 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
3151 | 1450 | 97 | None | -602 | 24 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -602 | 24 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -602 | 24 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -602 | 24 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -602 | 24 | Human | 5.6 | pAC50 | = | 5.6 | 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 | ||
47319 | 26433 | 35 | None | 1 | 6 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 929 | 24 | 0 | 12 | 8.1 | COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL1360 | 26433 | 35 | None | 1 | 6 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 929 | 24 | 0 | 12 | 8.1 | COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
4846 | 27956 | 53 | None | -1 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 308 | 1 | 2 | 6 | 2.2 | O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1372341 | 27956 | 53 | None | -1 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 308 | 1 | 2 | 6 | 2.2 | O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1 | 10.1038/s41467-023-40064-9 | ||
5639 | 98867 | 75 | None | -53 | 13 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -53 | 13 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
2179 | 167494 | 76 | None | -2 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1256655 | 167494 | 76 | None | -2 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL43 | 167494 | 76 | None | -2 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
180 | 400 | 56 | None | -281 | 38 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
200 | 400 | 56 | None | -281 | 38 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
2160 | 400 | 56 | None | -281 | 38 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL629 | 400 | 56 | None | -281 | 38 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00321 | 400 | 56 | None | -281 | 38 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
26757 | 207955 | 31 | None | -7 | 5 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL972 | 207955 | 31 | None | -7 | 5 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
154417 | 23149 | 60 | None | -7079 | 7 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1331216 | 23149 | 60 | None | -7079 | 7 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
2601 | 3751 | 33 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | 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 | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | 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 | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | 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 | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | 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 | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | 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 | ||
102 | 4096 | 48 | None | -2 | 20 | Human | 8.5 | pAC50 | = | 8.5 | 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 | -2 | 20 | Human | 8.5 | pAC50 | = | 8.5 | 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 | -2 | 20 | Human | 8.5 | pAC50 | = | 8.5 | 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 | -2 | 20 | Human | 8.5 | pAC50 | = | 8.5 | 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 | -2 | 20 | Human | 8.5 | pAC50 | = | 8.5 | 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 | ||
37 | 775 | 60 | None | -63 | 12 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -63 | 12 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -63 | 12 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -63 | 12 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -63 | 12 | Human | 6.5 | pAC50 | = | 6.5 | 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 | ||
129211 | 3722 | 78 | None | -660 | 14 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -660 | 14 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -660 | 14 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -660 | 14 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -660 | 14 | Human | 6.5 | pAC50 | = | 6.5 | 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 | ||
46780481 | 107504 | 20 | None | -1513 | 15 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
9903970 | 107504 | 20 | None | -1513 | 15 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3187365 | 107504 | 20 | None | -1513 | 15 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3544974 | 107504 | 20 | None | -1513 | 15 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
1782 | 2501 | 84 | None | -144 | 14 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -144 | 14 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -144 | 14 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -144 | 14 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -144 | 14 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
2286 | 3161 | 51 | None | -602 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
4927 | 3161 | 51 | None | -602 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
7282 | 3161 | 51 | None | -602 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL643 | 3161 | 51 | None | -602 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
DB01069 | 3161 | 51 | None | -602 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
44112 | 121264 | 48 | None | -269 | 12 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -269 | 12 | Human | 5.5 | pAC50 | = | 5.5 | 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 | ||
2726 | 916 | 68 | None | -501 | 42 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
621 | 916 | 68 | None | -501 | 42 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
83 | 916 | 68 | None | -501 | 42 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL71 | 916 | 68 | None | -501 | 42 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
DB00477 | 916 | 68 | None | -501 | 42 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
191 | 402 | 98 | None | -524 | 36 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -524 | 36 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -524 | 36 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -524 | 36 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -524 | 36 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
228 | 444 | 28 | None | -758 | 20 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -758 | 20 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -758 | 20 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -758 | 20 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -758 | 20 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
4413 | 98045 | 57 | None | 1 | 15 | Human | 5.5 | pAC50 | = | 5.5 | 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 | 1 | 15 | Human | 5.5 | pAC50 | = | 5.5 | 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 | ||
60753 | 194661 | 40 | None | 1 | 6 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 384 | 14 | 2 | 4 | 4.2 | CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL533 | 194661 | 40 | None | 1 | 6 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 384 | 14 | 2 | 4 | 4.2 | CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
11079 | 2714 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
3369 | 2714 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
4436 | 2714 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
5509 | 2714 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL761 | 2714 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB06711 | 2714 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2865 | 4112 | 73 | None | -138 | 20 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -138 | 20 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -138 | 20 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -138 | 20 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -138 | 20 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2351 | 4269 | 49 | None | -1 | 22 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -1 | 22 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -1 | 22 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
3157 | 1458 | 71 | None | -446 | 22 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -446 | 22 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -446 | 22 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -446 | 22 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -446 | 22 | Human | 6.5 | pAC50 | = | 6.5 | 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 | ||
100 | 3776 | 58 | None | -162 | 38 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -162 | 38 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -162 | 38 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -162 | 38 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -162 | 38 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
3584 | 3748 | 64 | None | -1548 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
5401 | 3748 | 64 | None | -1548 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
7302 | 3748 | 64 | None | -1548 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL611 | 3748 | 64 | None | -1548 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
DB01162 | 3748 | 64 | None | -1548 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
213 | 3824 | 55 | None | -107 | 22 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -107 | 22 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -107 | 22 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -107 | 22 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -107 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
134 | 2497 | 24 | None | -1819 | 18 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -1819 | 18 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -1819 | 18 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -1819 | 18 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -1819 | 18 | Human | 5.5 | pAC50 | = | 5.5 | 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 | ||
11658860 | 2329 | 51 | None | -316 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
2941 | 2329 | 51 | None | -316 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
4374 | 2329 | 51 | None | -316 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL360328 | 2329 | 51 | None | -316 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
DB04871 | 2329 | 51 | None | -316 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
2470 | 3626 | 50 | None | -6165 | 23 | Human | 6.4 | pAC50 | = | 6.4 | 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 | -6165 | 23 | Human | 6.4 | pAC50 | = | 6.4 | 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 | -6165 | 23 | Human | 6.4 | pAC50 | = | 6.4 | 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 | -6165 | 23 | Human | 6.4 | pAC50 | = | 6.4 | 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 | -6165 | 23 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
19675 | 51640 | 43 | None | -28 | 15 | Human | 6.4 | pAC50 | = | 6.4 | 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 | -28 | 15 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
4756 | 16617 | 50 | None | -1 | 16 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -1 | 16 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -1 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
5210 | 33308 | 48 | None | -1 | 8 | Human | 5.4 | pAC50 | = | 5.4 | Functional | 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 | -1 | 8 | Human | 5.4 | pAC50 | = | 5.4 | Functional | 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 | -1 | 8 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
2895 | 203569 | 41 | None | -186 | 15 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL669 | 203569 | 41 | None | -186 | 15 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
68617 | 205504 | 62 | None | -12 | 30 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -12 | 30 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -12 | 30 | Human | 5.4 | pAC50 | = | 5.4 | 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 | ||
2407 | 3347 | 76 | None | -120 | 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 | -120 | 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 | -120 | 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 | -120 | 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 | -120 | 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 | ||
6337614 | 12964 | 54 | None | -3 | 6 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 296 | 1 | 0 | 2 | 2.7 | O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1189679 | 12964 | 54 | None | -3 | 6 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 296 | 1 | 0 | 2 | 2.7 | O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
319 | 1312 | 44 | None | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | 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 | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | 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 | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | 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 | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | 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 | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | 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 | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | 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 | ||
1593 | 2325 | 66 | None | -1 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
30668 | 2325 | 66 | None | -1 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
9868 | 2325 | 66 | None | -1 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL17860 | 2325 | 66 | None | -1 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
DB04948 | 2325 | 66 | None | -1 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
3149 | 12582 | 15 | None | -11 | 26 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1187011 | 12582 | 15 | None | -11 | 26 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3949 | 100586 | 50 | None | -4 | 16 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -4 | 16 | Human | 5.4 | pAC50 | = | 5.4 | 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 | ||
2520 | 203985 | 70 | None | -38 | 20 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -38 | 20 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -38 | 20 | Human | 5.4 | pAC50 | = | 5.4 | 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 | ||
5453 | 203596 | 102 | None | -100 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 189 | 3 | 0 | 1 | 0.2 | S=P(N1CC1)(N1CC1)N1CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL671 | 203596 | 102 | None | -100 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 189 | 3 | 0 | 1 | 0.2 | S=P(N1CC1)(N1CC1)N1CC1 | 10.1038/s41467-023-40064-9 | ||
2398 | 951 | 62 | None | -1819 | 36 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
2801 | 951 | 62 | None | -1819 | 36 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
701 | 951 | 62 | None | -1819 | 36 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL415 | 951 | 62 | None | -1819 | 36 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
DB01242 | 951 | 62 | None | -1819 | 36 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
4940 | 14438 | 35 | None | -151 | 15 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -151 | 15 | Human | 5.4 | pAC50 | = | 5.4 | 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 | ||
5357 | 98708 | 41 | None | -407 | 5 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -407 | 5 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 354 | 7 | 1 | 5 | 1.7 | CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC | 10.1038/s41467-023-40064-9 | ||
4452 | 2742 | 19 | None | -1513 | 21 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -1513 | 21 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -1513 | 21 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
209 | 3035 | 97 | None | -199 | 14 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
2113 | 3035 | 97 | None | -199 | 14 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
4748 | 3035 | 97 | None | -199 | 14 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL567 | 3035 | 97 | None | -199 | 14 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
DB00850 | 3035 | 97 | None | -199 | 14 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
2351 | 3261 | 64 | None | -93 | 27 | Human | 6.3 | pAC50 | = | 6.3 | Functional | 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 | -93 | 27 | Human | 6.3 | pAC50 | = | 6.3 | Functional | 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 | -93 | 27 | Human | 6.3 | pAC50 | = | 6.3 | Functional | 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 | -93 | 27 | Human | 6.3 | pAC50 | = | 6.3 | Functional | 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 | -93 | 27 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
16362 | 3103 | 71 | None | -52 | 35 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -52 | 35 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -52 | 35 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -52 | 35 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -52 | 35 | Human | 6.3 | pAC50 | = | 6.3 | 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 | ||
47641 | 202848 | 32 | None | -2 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 287 | 5 | 0 | 1 | 5.0 | CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL626 | 202848 | 32 | None | -2 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 287 | 5 | 0 | 1 | 5.0 | CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
2165 | 203760 | 71 | None | -3 | 8 | Human | 5.3 | pAC50 | = | 5.3 | 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 | 5.3 | pAC50 | = | 5.3 | 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 | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 355 | 6 | 2 | 4 | 5.2 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O | 10.1038/s41467-023-40064-9 | ||
1353 | 1898 | 93 | None | -1023 | 39 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -1023 | 39 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -1023 | 39 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -1023 | 39 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -1023 | 39 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
1212 | 1649 | 50 | None | -138 | 35 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -138 | 35 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -138 | 35 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -138 | 35 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -138 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
135 | 2515 | 43 | None | -34 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
1796 | 2515 | 43 | None | -34 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
4184 | 2515 | 43 | None | -34 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL6437 | 2515 | 43 | None | -34 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
DB06148 | 2515 | 43 | None | -34 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
2695 | 3812 | 81 | None | -6 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
5504 | 3812 | 81 | None | -6 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
7310 | 3812 | 81 | None | -6 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL770 | 3812 | 81 | None | -6 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
DB00797 | 3812 | 81 | None | -6 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
240 | 941 | 43 | None | -371 | 23 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -371 | 23 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -371 | 23 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -371 | 23 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -371 | 23 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -371 | 23 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -371 | 23 | Human | 5.3 | pAC50 | = | 5.3 | 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 | ||
2995 | 204382 | 53 | None | -1905 | 18 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1696 | 204382 | 53 | None | -1905 | 18 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL72 | 204382 | 53 | None | -1905 | 18 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
26987 | 946 | 33 | None | -190 | 34 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -190 | 34 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -190 | 34 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -190 | 34 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -190 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
20628 | 96519 | 28 | None | -13 | 13 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -13 | 13 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | ||
2389 | 3306 | 118 | None | -23 | 29 | Human | 7.3 | pAC50 | = | 7.3 | 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 | -23 | 29 | Human | 7.3 | pAC50 | = | 7.3 | 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 | -23 | 29 | Human | 7.3 | pAC50 | = | 7.3 | 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 | -23 | 29 | Human | 7.3 | pAC50 | = | 7.3 | 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 | -23 | 29 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
2472 | 67254 | 48 | None | 3 | 4 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 2.1 | CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL188185 | 67254 | 48 | None | 3 | 4 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 2.1 | CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 | 10.1038/s41467-023-40064-9 | ||
4034 | 55792 | 55 | None | -13 | 18 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -13 | 18 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
54477 | 84624 | 36 | None | -104 | 8 | Human | 5.3 | pAC50 | = | 5.3 | 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 | -104 | 8 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | 10.1038/s41467-023-40064-9 | ||
1971 | 2846 | 38 | None | -467 | 32 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2404 | 2846 | 38 | None | -467 | 32 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
4543 | 2846 | 38 | None | -467 | 32 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL445 | 2846 | 38 | None | -467 | 32 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00540 | 2846 | 38 | None | -467 | 32 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
1816 | 2523 | 102 | None | -43 | 12 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
4205 | 2523 | 102 | None | -43 | 12 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
7241 | 2523 | 102 | None | -43 | 12 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL654 | 2523 | 102 | None | -43 | 12 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
DB00370 | 2523 | 102 | None | -43 | 12 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
135398745 | 2893 | 112 | None | -52 | 33 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -52 | 33 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -52 | 33 | Human | 6.3 | pAC50 | = | 6.3 | 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 | -52 | 33 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
5048 | 3111 | 64 | None | -3981 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
8924 | 3111 | 64 | None | -3981 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
9948102 | 3111 | 64 | None | -3981 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL462605 | 3111 | 64 | None | -3981 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
DB11642 | 3111 | 64 | None | -3981 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
2585 | 800 | 103 | None | -95 | 34 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
522 | 800 | 103 | None | -95 | 34 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
551 | 800 | 103 | None | -95 | 34 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL723 | 800 | 103 | None | -95 | 34 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
DB01136 | 800 | 103 | None | -95 | 34 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
3152 | 188387 | 103 | None | -14 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | 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 | -14 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
5365247 | 138404 | 33 | None | -4 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 316 | 4 | 0 | 2 | 3.8 | CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL37744 | 138404 | 33 | None | -4 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 316 | 4 | 0 | 2 | 3.8 | CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 | 10.1038/s41467-023-40064-9 | ||
1890 | 2739 | 49 | None | -4 | 24 | Human | 6.2 | pAC50 | = | 6.2 | 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 | -4 | 24 | Human | 6.2 | pAC50 | = | 6.2 | 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 | -4 | 24 | Human | 6.2 | pAC50 | = | 6.2 | 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 | -4 | 24 | Human | 6.2 | pAC50 | = | 6.2 | 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 | -4 | 24 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
2435 | 3563 | 83 | None | -1548 | 21 | Human | 5.2 | pAC50 | = | 5.2 | 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 | -1548 | 21 | Human | 5.2 | pAC50 | = | 5.2 | 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 | -1548 | 21 | Human | 5.2 | pAC50 | = | 5.2 | 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 | -1548 | 21 | Human | 5.2 | pAC50 | = | 5.2 | 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 | -1548 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
4567 | 9916 | 34 | None | -11 | 12 | Human | 6.2 | pAC50 | = | 6.2 | 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 | -11 | 12 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
1530 | 2169 | 50 | None | -467 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
3827 | 2169 | 50 | None | -467 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
7206 | 2169 | 50 | None | -467 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL534 | 2169 | 50 | None | -467 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
DB00920 | 2169 | 50 | None | -467 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
5482 | 14388 | 80 | None | -3 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200438 | 14388 | 80 | None | -3 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
1524 | 2168 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
197 | 2168 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
3822 | 2168 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
88 | 2168 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL51 | 2168 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB12465 | 2168 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
4011 | 82379 | 49 | None | -549 | 26 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL21731 | 82379 | 49 | None | -549 | 26 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
9417 | 133487 | 54 | None | -83 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1524185 | 133487 | 54 | None | -83 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL370753 | 133487 | 54 | None | -83 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
5311017 | 120578 | 11 | None | 2 | 5 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 239 | 5 | 0 | 1 | 3.8 | C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3545985 | 120578 | 11 | None | 2 | 5 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 239 | 5 | 0 | 1 | 3.8 | C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
68712 | 100310 | 60 | None | -1 | 7 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL289480 | 100310 | 60 | None | -1 | 7 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1038/s41467-023-40064-9 | ||
3926 | 207218 | 40 | None | -1 | 18 | Human | 6.2 | pAC50 | = | 6.2 | 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 | -1 | 18 | Human | 6.2 | pAC50 | = | 6.2 | 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 | ||
21772 | 78370 | 31 | None | -457 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 293 | 4 | 0 | 1 | 4.5 | CC(CC1c2ccccc2CCc2ccccc21)CN(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL2110816 | 78370 | 31 | None | -457 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 293 | 4 | 0 | 1 | 4.5 | CC(CC1c2ccccc2CCc2ccccc21)CN(C)C | 10.1038/s41467-023-40064-9 | ||
179 | 399 | 115 | None | -104 | 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 | -104 | 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 | -104 | 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 | -104 | 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 | -104 | 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 | ||
104870 | 98852 | 47 | None | -2 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | 10.1038/s41467-023-40064-9 | ||
5374 | 98852 | 47 | None | -2 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL279085 | 98852 | 47 | None | -2 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | 10.1038/s41467-023-40064-9 | ||
2291 | 3162 | 58 | None | -134 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
2561 | 3162 | 58 | None | -134 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
4932 | 3162 | 58 | None | -134 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL631 | 3162 | 58 | None | -134 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
DB01182 | 3162 | 58 | None | -134 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
19910 | 37378 | 106 | None | -1 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 190 | 1 | 1 | 4 | 1.8 | O=[N+]([O-])c1ccc(O)c2ncccc12 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1454910 | 37378 | 106 | None | -1 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 190 | 1 | 1 | 4 | 1.8 | O=[N+]([O-])c1ccc(O)c2ncccc12 | 10.1038/s41467-023-40064-9 | ||
17676 | 7040 | 29 | None | -165 | 13 | Human | 6.1 | pAC50 | = | 6.1 | 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 | -165 | 13 | Human | 6.1 | pAC50 | = | 6.1 | 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 | -165 | 13 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
2477 | 742 | 59 | None | -316 | 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 | -316 | 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 | -316 | 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 | -316 | 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 | -316 | 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 | ||
162265 | 202251 | 22 | None | 10 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
4786 | 202251 | 22 | None | 10 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL61006 | 202251 | 22 | None | 10 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
16722836 | 18953 | 99 | None | -6 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 524 | 10 | 3 | 8 | 4.8 | Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1287853 | 18953 | 99 | None | -6 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 524 | 10 | 3 | 8 | 4.8 | Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 | 10.1038/s41467-023-40064-9 | ||
5210 | 33308 | 48 | None | -1 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | 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 | -1 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | 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 | -1 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
1234 | 189197 | 56 | None | -28 | 10 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -28 | 10 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -28 | 10 | Human | 5.1 | pAC50 | = | 5.1 | 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 | ||
135409453 | 3744 | 41 | None | -263 | 36 | Human | 6.1 | pAC50 | = | 6.1 | 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 | -263 | 36 | Human | 6.1 | pAC50 | = | 6.1 | 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 | -263 | 36 | Human | 6.1 | pAC50 | = | 6.1 | 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 | ||
43815 | 186896 | 64 | None | -77 | 20 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -77 | 20 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -77 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
2218 | 15251 | 23 | None | -10 | 12 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 322 | 8 | 0 | 2 | 4.4 | CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1213033 | 15251 | 23 | None | -10 | 12 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 322 | 8 | 0 | 2 | 4.4 | CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
36811 | 1442 | 37 | None | -28 | 17 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
535 | 1442 | 37 | None | -28 | 17 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
937 | 1442 | 37 | None | -28 | 17 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL926 | 1442 | 37 | None | -28 | 17 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
DB00841 | 1442 | 37 | None | -28 | 17 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
2146 | 3078 | 67 | None | -181 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
485 | 3078 | 67 | None | -181 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
6041 | 3078 | 67 | None | -181 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1215 | 3078 | 67 | None | -181 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
DB00388 | 3078 | 67 | None | -181 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
2448 | 99295 | 70 | None | -363 | 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 | -363 | 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 | ||
115 | 342 | 71 | None | -14 | 5 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
2092 | 342 | 71 | None | -14 | 5 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
7109 | 342 | 71 | None | -14 | 5 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL709 | 342 | 71 | None | -14 | 5 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
DB00346 | 342 | 71 | None | -14 | 5 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
3158 | 56237 | 27 | None | -1202 | 28 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1628227 | 56237 | 27 | None | -1202 | 28 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
2142 | 3074 | 58 | None | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | 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 | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | 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 | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | 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 | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | 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 | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | 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 | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
72093 | 35031 | 9 | None | -7 | 28 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -7 | 28 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -7 | 28 | Human | 5.1 | pAC50 | = | 5.1 | 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 | ||
1549120 | 196463 | 85 | None | -5 | 19 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL56337 | 196463 | 85 | None | -5 | 19 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2284 | 3160 | 33 | None | -56 | 34 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
4926 | 3160 | 33 | None | -56 | 34 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
7281 | 3160 | 33 | None | -56 | 34 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL564 | 3160 | 33 | None | -56 | 34 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00420 | 3160 | 33 | None | -56 | 34 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
156419 | 935 | 74 | None | -13 | 15 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
3308 | 935 | 74 | None | -13 | 15 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
647 | 935 | 74 | None | -13 | 15 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201284 | 935 | 74 | None | -13 | 15 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
DB01012 | 935 | 74 | None | -13 | 15 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
3180 | 14441 | 41 | None | -2 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201217 | 14441 | 41 | None | -2 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
68555 | 103085 | 21 | None | -190 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 7 | 1 | 5 | 2.6 | CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL307739 | 103085 | 21 | None | -190 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 7 | 1 | 5 | 2.6 | CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1 | 10.1038/s41467-023-40064-9 | ||
3081361 | 93905 | 123 | None | -1 | 14 | Human | 6.1 | pAC50 | = | 6.1 | 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 | -1 | 14 | Human | 6.1 | pAC50 | = | 6.1 | 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 | ||
1385580 | 29245 | 76 | None | -104 | 19 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
4615 | 29245 | 76 | None | -104 | 19 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL13828 | 29245 | 76 | None | -104 | 19 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
3689 | 102744 | 55 | None | -128 | 16 | Human | 6.1 | pAC50 | = | 6.1 | 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 | -128 | 16 | Human | 6.1 | pAC50 | = | 6.1 | 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 | -128 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
22323 | 15267 | 32 | None | -5 | 11 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -5 | 11 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -5 | 11 | Human | 5.1 | pAC50 | = | 5.1 | 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 | ||
CHEMBL3039583 | 210926 | 0 | None | -169 | 17 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1038/s41467-023-40064-9 | ||||
21722 | 17960 | 31 | None | -22 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL126224 | 17960 | 31 | None | -22 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
2099 | 9275 | 55 | None | -109 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1110 | 9275 | 55 | None | -109 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | 10.1038/s41467-023-40064-9 | ||
2762 | 3834 | 31 | None | -301 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
5587 | 3834 | 31 | None | -301 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
7318 | 3834 | 31 | None | -301 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1241 | 3834 | 31 | None | -301 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
DB00792 | 3834 | 31 | None | -301 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
2372 | 106441 | 40 | None | -354 | 6 | Human | 5.0 | pAC50 | = | 5.0 | 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 | -354 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
3337 | 206344 | 27 | None | -2 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | 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 | -2 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | 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 | -2 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | 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 | -2 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | 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 | -2 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
2202 | 3110 | 96 | None | -16 | 10 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -16 | 10 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -16 | 10 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -16 | 10 | Human | 6.0 | pAC50 | = | 6.0 | 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 | -16 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
25382 | 9125 | 37 | None | -263 | 21 | Human | 5.0 | pAC50 | = | 5.0 | 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 | -263 | 21 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
135564886 | 14461 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
135673376 | 14461 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
137157436 | 14461 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
145948239 | 14461 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
71587099 | 14461 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201304 | 14461 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
3191 | 102831 | 97 | None | -89 | 33 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL305660 | 102831 | 97 | None | -89 | 33 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
2247 | 504 | 81 | None | -323 | 42 | Human | 5.0 | pAC50 | = | 5.0 | 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 | -323 | 42 | Human | 5.0 | pAC50 | = | 5.0 | 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 | -323 | 42 | Human | 5.0 | pAC50 | = | 5.0 | 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 | -323 | 42 | Human | 5.0 | pAC50 | = | 5.0 | 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 | -323 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
5284550 | 41691 | 15 | None | -512 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1492500 | 41691 | 15 | None | -512 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
521 | 1392 | 69 | None | -4 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
5311068 | 1392 | 69 | None | -4 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
835 | 1392 | 69 | None | -4 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
CHEMBL778 | 1392 | 69 | None | -4 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
DB00633 | 1392 | 69 | None | -4 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
1593 | 2325 | 66 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
30668 | 2325 | 66 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
9868 | 2325 | 66 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL17860 | 2325 | 66 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
DB04948 | 2325 | 66 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
57345628 | 71154 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956195 | 71154 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
57345628 | 71154 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL1956195 | 71154 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
70695474 | 77643 | 0 | None | 794 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL2089156 | 77643 | 0 | None | 794 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
44292386 | 101455 | 0 | None | 35 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL297827 | 101455 | 0 | None | 35 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
16757089 | 92262 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL242693 | 92262 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
57345626 | 71151 | 2 | None | 31 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956192 | 71151 | 2 | None | 31 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
24906199 | 187641 | 15 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL495096 | 187641 | 15 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
16757089 | 92262 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL242693 | 92262 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
49836306 | 18543 | 0 | None | 31 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276247 | 18543 | 0 | None | 31 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
11361608 | 84716 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL222928 | 84716 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
11361608 | 84716 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222928 | 84716 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
44269140 | 33523 | 0 | None | 17 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL14208 | 33523 | 0 | None | 17 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
44371745 | 49259 | 0 | None | 100 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL156336 | 49259 | 0 | None | 100 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
57402718 | 71160 | 2 | None | -3 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956201 | 71160 | 2 | None | -3 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
11097789 | 102971 | 1 | None | -16 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL306792 | 102971 | 1 | None | -16 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11361608 | 84716 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL222928 | 84716 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
24906196 | 187222 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL492639 | 187222 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
135453290 | 133581 | 33 | None | -5011 | 7 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL371300 | 133581 | 33 | None | -5011 | 7 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
57399145 | 71155 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956196 | 71155 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
131829 | 204704 | 15 | None | -37 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL74283 | 204704 | 15 | None | -37 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
9859437 | 167998 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
CHEMBL432155 | 167998 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
11043720 | 92143 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL242265 | 92143 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
11043720 | 92143 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL242265 | 92143 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
10221005 | 204299 | 0 | None | -575 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL71479 | 204299 | 0 | None | -575 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
57345627 | 71153 | 0 | None | 13 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956194 | 71153 | 0 | None | 13 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
2683 | 3805 | 60 | None | -5 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
5487 | 3805 | 60 | None | -5 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
7308 | 3805 | 60 | None | -5 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
CHEMBL1079 | 3805 | 60 | None | -5 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
DB00697 | 3805 | 60 | None | -5 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
49836304 | 18539 | 1 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276219 | 18539 | 1 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
24906159 | 187381 | 12 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL493675 | 187381 | 12 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
44292385 | 101094 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL295186 | 101094 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
1242 | 3586 | 27 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
935 | 3586 | 27 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL286080 | 3586 | 27 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
185076 | 187066 | 5 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL49137 | 187066 | 5 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
42669828 | 121692 | 2 | None | - | 1 | Human | 3.8 | pEC50 | = | 3.8 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588911 | 121692 | 2 | None | - | 1 | Human | 3.8 | pEC50 | = | 3.8 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | ||
11140345 | 204148 | 0 | None | -2 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70692 | 204148 | 0 | None | -2 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
45487962 | 197462 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL569933 | 197462 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
11361608 | 84716 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222928 | 84716 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
11277479 | 84721 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
CHEMBL222973 | 84721 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
57345625 | 71150 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956191 | 71150 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
13178306 | 121683 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588902 | 121683 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | ||
10333157 | 151214 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL396013 | 151214 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
10333157 | 151214 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL396013 | 151214 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
49836302 | 18534 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276139 | 18534 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
49836302 | 18534 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL1276139 | 18534 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
68712 | 100310 | 60 | None | -1 | 7 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL289480 | 100310 | 60 | None | -1 | 7 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
57395731 | 71161 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956202 | 71161 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
481 | 2872 | 7 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
9838763 | 2872 | 7 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
CHEMBL72958 | 2872 | 7 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
10199335 | 204724 | 0 | None | -120 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL74467 | 204724 | 0 | None | -120 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
218362 | 204777 | 5 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL75030 | 204777 | 5 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
11109088 | 204157 | 0 | None | -6 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70751 | 204157 | 0 | None | -6 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
23622576 | 172748 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL451229 | 172748 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
44292232 | 101294 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL296660 | 101294 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
44314200 | 102925 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL306377 | 102925 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
45487955 | 198287 | 0 | None | 125 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL576078 | 198287 | 0 | None | 125 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
49836301 | 18535 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276140 | 18535 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
49836308 | 18752 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1278084 | 18752 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
49836301 | 18535 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL1276140 | 18535 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
49836307 | 18753 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1278085 | 18753 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
10266032 | 188857 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL50720 | 188857 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
44421258 | 84717 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL1204386 | 84717 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL222933 | 84717 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
44371755 | 48747 | 0 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL155866 | 48747 | 0 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
44371864 | 51111 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL157955 | 51111 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
11000184 | 13020 | 0 | None | -8 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1190038 | 13020 | 0 | None | -8 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540035 | 13020 | 0 | None | -8 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
10859076 | 13650 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1194763 | 13650 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL553276 | 13650 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
45487958 | 198368 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL576819 | 198368 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
2435 | 719 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
395 | 719 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
520 | 719 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
5386 | 719 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
CHEMBL844 | 719 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
DB00484 | 719 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
3086326 | 204508 | 22 | None | -13 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72753 | 204508 | 22 | None | -13 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
57400959 | 71159 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956200 | 71159 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
70693375 | 77642 | 0 | None | 12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL2089155 | 77642 | 0 | None | 12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
24906241 | 192793 | 0 | None | 7 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
CHEMBL522151 | 192793 | 0 | None | 7 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
434526 | 77539 | 28 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL2087646 | 77539 | 28 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | ||
9816461 | 10687 | 7 | None | -60 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL117094 | 10687 | 7 | None | -60 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL544290 | 10687 | 7 | None | -60 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
32238 | 22623 | 114 | None | - | 1 | Human | 3.5 | pEC50 | = | 3.5 | Functional | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL1327 | 22623 | 114 | None | - | 1 | Human | 3.5 | pEC50 | = | 3.5 | Functional | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | ||
2146 | 3078 | 67 | None | -181 | 15 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
485 | 3078 | 67 | None | -181 | 15 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
6041 | 3078 | 67 | None | -181 | 15 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
CHEMBL1215 | 3078 | 67 | None | -181 | 15 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
DB00388 | 3078 | 67 | None | -181 | 15 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
122180567 | 121685 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588904 | 121685 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
49836303 | 18540 | 1 | None | 89 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276220 | 18540 | 1 | None | 89 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
24906197 | 187642 | 0 | None | 8 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL495097 | 187642 | 0 | None | 8 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
11300487 | 84973 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223830 | 84973 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
16757089 | 92262 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL242693 | 92262 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
45487956 | 198344 | 0 | None | 25 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
CHEMBL576623 | 198344 | 0 | None | 25 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
44549156 | 18538 | 0 | None | 79 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276218 | 18538 | 0 | None | 79 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
11265631 | 136384 | 0 | None | 9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL373535 | 136384 | 0 | None | 9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
2765 | 940 | 19 | None | -38 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
515 | 940 | 19 | None | -38 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
CHEMBL13852 | 940 | 19 | None | -38 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
DB09202 | 940 | 19 | None | -38 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
44269089 | 96976 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL266613 | 96976 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
44314198 | 104385 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL310335 | 104385 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
9815707 | 101442 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL297752 | 101442 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
11058166 | 204682 | 0 | None | -10 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL74114 | 204682 | 0 | None | -10 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
11346584 | 136959 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL374584 | 136959 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
11346584 | 136959 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL374584 | 136959 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
11346584 | 136959 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL374584 | 136959 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
57345629 | 71156 | 0 | None | 269 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956197 | 71156 | 0 | None | 269 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
46743607 | 121686 | 0 | None | - | 1 | Human | 3.3 | pEC50 | = | 3.3 | Functional | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588905 | 121686 | 0 | None | - | 1 | Human | 3.3 | pEC50 | = | 3.3 | Functional | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | ||
11140347 | 204510 | 1 | None | -3 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72768 | 204510 | 1 | None | -3 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11108001 | 10840 | 2 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL117248 | 10840 | 2 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540542 | 10840 | 2 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
45487145 | 197636 | 0 | None | 19 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL570973 | 197636 | 0 | None | 19 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
24906198 | 187640 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL495095 | 187640 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
11265631 | 136384 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL373535 | 136384 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
24906198 | 187640 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL495095 | 187640 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
24906198 | 187640 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL495095 | 187640 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
11265631 | 136384 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL373535 | 136384 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
11173568 | 84612 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222371 | 84612 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
24906160 | 169432 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL442815 | 169432 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
11090351 | 163367 | 0 | None | -20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL419448 | 163367 | 0 | None | -20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
10221004 | 204208 | 0 | None | -20 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70973 | 204208 | 0 | None | -20 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11079 | 2714 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
3369 | 2714 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
4436 | 2714 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
5509 | 2714 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL761 | 2714 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
DB06711 | 2714 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
2803 | 952 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
516 | 952 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
704 | 952 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL134 | 952 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
DB00575 | 952 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
10382537 | 204143 | 12 | None | -4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL70676 | 204143 | 12 | None | -4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
2803 | 952 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
516 | 952 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
704 | 952 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
CHEMBL134 | 952 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
DB00575 | 952 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
44371744 | 50291 | 0 | None | 8 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL157206 | 50291 | 0 | None | 8 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
135399666 | 168739 | 7 | None | -66 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL437314 | 168739 | 7 | None | -66 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
2803 | 952 | 58 | None | -15 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
516 | 952 | 58 | None | -15 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
704 | 952 | 58 | None | -15 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
CHEMBL134 | 952 | 58 | None | -15 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
DB00575 | 952 | 58 | None | -15 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
44352207 | 18824 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL128168 | 18824 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
44352207 | 18824 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL128168 | 18824 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
44352207 | 18824 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL128168 | 18824 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
44352207 | 18824 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL128168 | 18824 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
11360447 | 84972 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223829 | 84972 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
49836305 | 18544 | 0 | None | 9 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276248 | 18544 | 0 | None | 9 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
10176999 | 103527 | 21 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
CHEMBL308570 | 103527 | 21 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
11211035 | 84974 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223836 | 84974 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
11211035 | 84974 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL223836 | 84974 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
9971924 | 184202 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL48341 | 184202 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
45487089 | 197617 | 0 | None | 79 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL570863 | 197617 | 0 | None | 79 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
57393922 | 71157 | 0 | None | 5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 232 | 5 | 1 | 4 | 2.0 | C=COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956198 | 71157 | 0 | None | 5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 232 | 5 | 1 | 4 | 2.0 | C=COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
10923927 | 204155 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
CHEMBL70740 | 204155 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
770500 | 121690 | 3 | None | - | 1 | Human | 3.2 | pEC50 | = | 3.2 | Functional | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588909 | 121690 | 3 | None | - | 1 | Human | 3.2 | pEC50 | = | 3.2 | Functional | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
11034737 | 204505 | 0 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72724 | 204505 | 0 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
16757182 | 153227 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL397753 | 153227 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
16757182 | 153227 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL397753 | 153227 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
294234 | 102866 | 3 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL305928 | 102866 | 3 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
24906200 | 193132 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
CHEMBL523048 | 193132 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
57395732 | 71162 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956203 | 71162 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
1960 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
439260 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
505 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
CHEMBL1437 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
DB00368 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
1960 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
439260 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
505 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
CHEMBL1437 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
DB00368 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
57395663 | 71152 | 0 | None | -3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956193 | 71152 | 0 | None | -3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
1960 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
439260 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
505 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
CHEMBL1437 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
DB00368 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
24906201 | 187329 | 0 | None | 15 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
CHEMBL493272 | 187329 | 0 | None | 15 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
9947861 | 204139 | 0 | None | -281 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70634 | 204139 | 0 | None | -281 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
1960 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
439260 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
505 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
CHEMBL1437 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
DB00368 | 2838 | 67 | None | -11 | 19 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
2435 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
395 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
520 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
5386 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
CHEMBL844 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
DB00484 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
10934575 | 204463 | 0 | None | -81 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72441 | 204463 | 0 | None | -81 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11173544 | 166237 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL426900 | 166237 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
15675860 | 204406 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72147 | 204406 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
44312036 | 204542 | 1 | None | 19 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72995 | 204542 | 1 | None | 19 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
2435 | 719 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
395 | 719 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
520 | 719 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
5386 | 719 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL844 | 719 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
DB00484 | 719 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
11371902 | 141613 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL385310 | 141613 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
11140033 | 20651 | 0 | None | 4 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL130884 | 20651 | 0 | None | 4 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
11371902 | 141613 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL385310 | 141613 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
57402717 | 71158 | 2 | None | 10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956199 | 71158 | 2 | None | 10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
156735109 | 186581 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
CHEMBL4878875 | 186581 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
156735161 | 186344 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 465 | 5 | 1 | 6 | 3.5 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC4(CC4)C3)C(F)C2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
CHEMBL4875484 | 186344 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 465 | 5 | 1 | 6 | 3.5 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC4(CC4)C3)C(F)C2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
164617361 | 184811 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 3.8 | COc1cccc2c1CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
CHEMBL4852159 | 184811 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 3.8 | COc1cccc2c1CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
156735115 | 186401 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 527 | 8 | 1 | 7 | 3.9 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CC4(F)F)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
CHEMBL4876214 | 186401 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 527 | 8 | 1 | 7 | 3.9 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CC4(F)F)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
156735204 | 185886 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 483 | 5 | 1 | 6 | 4.1 | Cc1ccc2c(c1)CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
CHEMBL4868807 | 185886 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 483 | 5 | 1 | 6 | 4.1 | Cc1ccc2c(c1)CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
156735188 | 185734 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
CHEMBL4866383 | 185734 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
136 | 3267 | 32 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 10.1021/jm401895u | ||
223 | 3267 | 32 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 10.1021/jm401895u | ||
643606 | 3267 | 32 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 10.1021/jm401895u | ||
CHEMBL10347 | 3267 | 32 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 10.1021/jm401895u | ||
11306100 | 168483 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 477 | 9 | 0 | 7 | 3.5 | COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL435352 | 168483 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 477 | 9 | 0 | 7 | 3.5 | COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
11271808 | 60964 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 490 | 9 | 0 | 7 | 3.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL176261 | 60964 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 490 | 9 | 0 | 7 | 3.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
135519400 | 63864 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 419 | 5 | 1 | 6 | 3.2 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL180470 | 63864 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 419 | 5 | 1 | 6 | 3.2 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
135440165 | 78916 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112985 | 78916 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
11214030 | 60514 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 491 | 8 | 0 | 8 | 3.1 | COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL175853 | 60514 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 491 | 8 | 0 | 8 | 3.1 | COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
44387789 | 60545 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 433 | 6 | 0 | 6 | 3.5 | COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL176002 | 60545 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 433 | 6 | 0 | 6 | 3.5 | COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
11259744 | 60766 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 461 | 6 | 0 | 7 | 3.4 | CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL176116 | 60766 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 461 | 6 | 0 | 7 | 3.4 | CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
11785961 | 63250 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 535 | 13 | 0 | 8 | 4.0 | CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL179237 | 63250 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 535 | 13 | 0 | 8 | 4.0 | CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
44324800 | 206925 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL91157 | 206925 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
11785068 | 60526 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 487 | 7 | 0 | 7 | 3.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL175911 | 60526 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 487 | 7 | 0 | 7 | 3.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
11260018 | 63829 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 473 | 7 | 0 | 7 | 3.6 | C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL180322 | 63829 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 473 | 7 | 0 | 7 | 3.6 | C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
11190988 | 131777 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 487 | 7 | 0 | 6 | 4.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL369378 | 131777 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 487 | 7 | 0 | 6 | 4.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
11318438 | 165960 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 524 | 7 | 0 | 8 | 4.1 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL425324 | 165960 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 524 | 7 | 0 | 8 | 4.1 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
44324972 | 163348 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL419316 | 163348 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
11191321 | 62955 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 503 | 6 | 0 | 7 | 4.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL178588 | 62955 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 503 | 6 | 0 | 7 | 4.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
135405894 | 78901 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 470 | 8 | 1 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112969 | 78901 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 470 | 8 | 1 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
44579272 | 187071 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL491420 | 187071 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
71450907 | 78910 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL2112978 | 78910 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
44579187 | 189655 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL515331 | 189655 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
25110718 | 193285 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL524153 | 193285 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
44387798 | 166249 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 458 | 7 | 0 | 5 | 3.9 | CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
CHEMBL426959 | 166249 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 458 | 7 | 0 | 5 | 3.9 | CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
71456239 | 78911 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
CHEMBL2112979 | 78911 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
136044137 | 78908 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 472 | 6 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112976 | 78908 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 472 | 6 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
135499867 | 78912 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 388 | 5 | 1 | 5 | 3.2 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1 | 10.1021/jm049619s | ||
CHEMBL2112981 | 78912 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 388 | 5 | 1 | 5 | 3.2 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1 | 10.1021/jm049619s | ||
11224953 | 78905 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 3.3 | CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
CHEMBL2112973 | 78905 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 3.3 | CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
10758200 | 63387 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL179648 | 63387 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
44579184 | 190929 | 4 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL518592 | 190929 | 4 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
135519421 | 78906 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 456 | 6 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112974 | 78906 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 456 | 6 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
44579185 | 181790 | 1 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL477816 | 181790 | 1 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
44324737 | 207215 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL92860 | 207215 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
135477797 | 78903 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112971 | 78903 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
44579230 | 181520 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL476569 | 181520 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
71456240 | 78913 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 415 | 6 | 0 | 5 | 3.8 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL2112982 | 78913 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 415 | 6 | 0 | 5 | 3.8 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
44579228 | 181630 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL477608 | 181630 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
71456238 | 78909 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 504 | 9 | 0 | 7 | 4.4 | COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
CHEMBL2112977 | 78909 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 504 | 9 | 0 | 7 | 4.4 | COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
11200476 | 78902 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
CHEMBL2112970 | 78902 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
44579229 | 189592 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL514837 | 189592 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
135545454 | 78914 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 448 | 7 | 1 | 7 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
CHEMBL2112983 | 78914 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 448 | 7 | 1 | 7 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
44324765 | 111541 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL328114 | 111541 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
71461647 | 78904 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 439 | 5 | 0 | 5 | 4.4 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
CHEMBL2112972 | 78904 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 439 | 5 | 0 | 5 | 4.4 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
44579271 | 187070 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL491419 | 187070 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
10073773 | 161099 | 16 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
CHEMBL4082473 | 161099 | 16 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
CHEMBL4117187 | 161099 | 16 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
44324765 | 111541 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL328114 | 111541 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
136274357 | 78915 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
CHEMBL2112984 | 78915 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
11385652 | 78907 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 460 | 6 | 0 | 6 | 3.7 | CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
CHEMBL2112975 | 78907 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 460 | 6 | 0 | 6 | 3.7 | CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
1343 | 1876 | 62 | None | -11 | 12 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
3519 | 1876 | 62 | None | -11 | 12 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
522 | 1876 | 62 | None | -11 | 12 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
CHEMBL862 | 1876 | 62 | None | -11 | 12 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
DB01018 | 1876 | 62 | None | -11 | 12 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
2683 | 3805 | 60 | None | -5 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
5487 | 3805 | 60 | None | -5 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
7308 | 3805 | 60 | None | -5 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
CHEMBL1079 | 3805 | 60 | None | -5 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
DB00697 | 3805 | 60 | None | -5 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
2803 | 952 | 58 | None | -15 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 952 | 58 | None | -15 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 952 | 58 | None | -15 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 952 | 58 | None | -15 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 952 | 58 | None | -15 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
2435 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
395 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
520 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
5386 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
CHEMBL844 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
DB00484 | 719 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
124 | 2960 | 47 | None | -144 | 25 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
2032 | 2960 | 47 | None | -144 | 25 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
4636 | 2960 | 47 | None | -144 | 25 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
CHEMBL762 | 2960 | 47 | None | -144 | 25 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
DB00935 | 2960 | 47 | None | -144 | 25 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
2803 | 952 | 58 | None | -15 | 14 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
516 | 952 | 58 | None | -15 | 14 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
704 | 952 | 58 | None | -15 | 14 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
CHEMBL134 | 952 | 58 | None | -15 | 14 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
DB00575 | 952 | 58 | None | -15 | 14 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
12574 | 2587 | 88 | None | -26 | 8 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
4810 | 2587 | 88 | None | -26 | 8 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
CHEMBL19236 | 2587 | 88 | None | -26 | 8 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
DB09242 | 2587 | 88 | None | -26 | 8 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
3952 | 1875 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
5353646 | 1875 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
5443 | 1875 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
5702063 | 1875 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
CHEMBL1331786 | 1875 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
CHEMBL420 | 1875 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
2435 | 719 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
395 | 719 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
520 | 719 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
5386 | 719 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
CHEMBL844 | 719 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
DB00484 | 719 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
1960 | 2838 | 67 | None | -11 | 19 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
439260 | 2838 | 67 | None | -11 | 19 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
505 | 2838 | 67 | None | -11 | 19 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
CHEMBL1437 | 2838 | 67 | None | -11 | 19 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
DB00368 | 2838 | 67 | None | -11 | 19 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
12574 | 2587 | 88 | None | -26 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
4810 | 2587 | 88 | None | -26 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
CHEMBL19236 | 2587 | 88 | None | -26 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
DB09242 | 2587 | 88 | None | -26 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
523 | 4075 | 93 | None | -1 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
5707 | 4075 | 93 | None | -1 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
CHEMBL297362 | 4075 | 93 | None | -1 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
DB11477 | 4075 | 93 | None | -1 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
1028 | 289 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
139148732 | 289 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
479 | 289 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
5816 | 289 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
CHEMBL679 | 289 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
DB00668 | 289 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
11079 | 2714 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
3369 | 2714 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
4436 | 2714 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
5509 | 2714 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
CHEMBL761 | 2714 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
DB06711 | 2714 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
1960 | 2838 | 67 | None | -11 | 19 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
439260 | 2838 | 67 | None | -11 | 19 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
505 | 2838 | 67 | None | -11 | 19 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
CHEMBL1437 | 2838 | 67 | None | -11 | 19 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
DB00368 | 2838 | 67 | None | -11 | 19 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
2803 | 952 | 58 | None | -15 | 14 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
516 | 952 | 58 | None | -15 | 14 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
704 | 952 | 58 | None | -15 | 14 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
CHEMBL134 | 952 | 58 | None | -15 | 14 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
DB00575 | 952 | 58 | None | -15 | 14 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
1343 | 1876 | 62 | None | -11 | 12 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
3519 | 1876 | 62 | None | -11 | 12 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
522 | 1876 | 62 | None | -11 | 12 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
CHEMBL862 | 1876 | 62 | None | -11 | 12 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
DB01018 | 1876 | 62 | None | -11 | 12 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
2435 | 719 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
395 | 719 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
520 | 719 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
5386 | 719 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
CHEMBL844 | 719 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
DB00484 | 719 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
3952 | 1875 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5353646 | 1875 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5443 | 1875 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5702063 | 1875 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
CHEMBL1331786 | 1875 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
CHEMBL420 | 1875 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
521 | 1392 | 69 | None | -4 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
5311068 | 1392 | 69 | None | -4 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
835 | 1392 | 69 | None | -4 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
CHEMBL778 | 1392 | 69 | None | -4 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
DB00633 | 1392 | 69 | None | -4 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
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 | ||
2337 | 3232 | 77 | None | -8 | 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 | -8 | 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 | -8 | 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 | -8 | 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 | -8 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
1225 | 1459 | 26 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
3958 | 1459 | 26 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
667477 | 1459 | 26 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
CHEMBL860 | 1459 | 26 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
DB01142 | 1459 | 26 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
1816 | 2523 | 102 | None | -43 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
4205 | 2523 | 102 | None | -43 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
7241 | 2523 | 102 | None | -43 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
CHEMBL654 | 2523 | 102 | None | -43 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
DB00370 | 2523 | 102 | None | -43 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
102 | 4096 | 48 | None | -2 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Functional | 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 | 25080296 | ||
3659 | 4096 | 48 | None | -2 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Functional | 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 | 25080296 | ||
8969 | 4096 | 48 | None | -2 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Functional | 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 | 25080296 | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Functional | 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 | 25080296 | ||
DB01392 | 4096 | 48 | None | -2 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Functional | 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 | 25080296 | ||
12577 | 2546 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 25080296 | ||
189711 | 2546 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 25080296 | ||
CHEMBL1257057 | 2546 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 25080296 | ||
12574 | 2587 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
12574 | 2587 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
4810 | 2587 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
4810 | 2587 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
CHEMBL19236 | 2587 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
CHEMBL19236 | 2587 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
DB09242 | 2587 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
DB09242 | 2587 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
1028 | 289 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
139148732 | 289 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
479 | 289 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
5816 | 289 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
CHEMBL679 | 289 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
DB00668 | 289 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
523 | 4075 | 93 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
5707 | 4075 | 93 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
CHEMBL297362 | 4075 | 93 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
DB11477 | 4075 | 93 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
3952 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
3952 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5353646 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
5353646 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5443 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
5443 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5702063 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
5702063 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
CHEMBL1331786 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
CHEMBL1331786 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
CHEMBL420 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
CHEMBL420 | 1875 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
11079 | 2714 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
3369 | 2714 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
4436 | 2714 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
5509 | 2714 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
CHEMBL761 | 2714 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
DB06711 | 2714 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
1343 | 1876 | 62 | None | -11 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
3519 | 1876 | 62 | None | -11 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
522 | 1876 | 62 | None | -11 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
CHEMBL862 | 1876 | 62 | None | -11 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
DB01018 | 1876 | 62 | None | -11 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
3658 | 4076 | 53 | None | -12 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
517 | 4076 | 53 | None | -12 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
5709 | 4076 | 53 | None | -12 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
CHEMBL312448 | 4076 | 53 | None | -12 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
DB06694 | 4076 | 53 | None | -12 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
1960 | 2838 | 67 | None | -11 | 19 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
1960 | 2838 | 67 | None | -11 | 19 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
439260 | 2838 | 67 | None | -11 | 19 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
439260 | 2838 | 67 | None | -11 | 19 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
505 | 2838 | 67 | None | -11 | 19 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
505 | 2838 | 67 | None | -11 | 19 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
CHEMBL1437 | 2838 | 67 | None | -11 | 19 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
CHEMBL1437 | 2838 | 67 | None | -11 | 19 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
DB00368 | 2838 | 67 | None | -11 | 19 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
DB00368 | 2838 | 67 | None | -11 | 19 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
2803 | 952 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
2803 | 952 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
516 | 952 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
516 | 952 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
704 | 952 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
704 | 952 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
CHEMBL134 | 952 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
CHEMBL134 | 952 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
DB00575 | 952 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
DB00575 | 952 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
124 | 2960 | 47 | None | -144 | 25 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
124 | 2960 | 47 | None | -144 | 25 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
2032 | 2960 | 47 | None | -144 | 25 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
2032 | 2960 | 47 | None | -144 | 25 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
4636 | 2960 | 47 | None | -144 | 25 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
4636 | 2960 | 47 | None | -144 | 25 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
CHEMBL762 | 2960 | 47 | None | -144 | 25 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
CHEMBL762 | 2960 | 47 | None | -144 | 25 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
DB00935 | 2960 | 47 | None | -144 | 25 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
DB00935 | 2960 | 47 | None | -144 | 25 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
2435 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
2435 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
395 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
395 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
520 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
520 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
5386 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
5386 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
CHEMBL844 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
CHEMBL844 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
DB00484 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
DB00484 | 719 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
521 | 1392 | 69 | None | -4 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
5311068 | 1392 | 69 | None | -4 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
835 | 1392 | 69 | None | -4 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
CHEMBL778 | 1392 | 69 | None | -4 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
DB00633 | 1392 | 69 | None | -4 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
3930 | 2138 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 17220913 | ||
3930 | 2138 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 35224877 | ||
540335 | 2138 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 17220913 | ||
540335 | 2138 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 35224877 | ||
CHEMBL106525 | 2138 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 17220913 | ||
CHEMBL106525 | 2138 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 35224877 | ||
13130 | 2944 | 0 | None | - | 1 | Human | 9.8 | pKB | = | 9.8 | Functional | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.9 | [H][C@@]12N(CCC[C@@]1(C)OCC)CCC3=C2OC4=C3C=CC=C4 | 23718812 |
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |
57345628 | 71154 | 0 | None | -26 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1956195 | 71154 | 0 | None | -26 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
70695474 | 77643 | 0 | None | -47 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2089156 | 77643 | 0 | None | -47 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
57345626 | 71151 | 2 | None | -12 | 4 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1956192 | 71151 | 2 | None | -12 | 4 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | ||
72947315 | 92460 | 0 | None | -10 | 4 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | ||
CHEMBL2431280 | 92460 | 0 | None | -10 | 4 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | ||
134137108 | 142702 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 2.1 | CCCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
CHEMBL3892351 | 142702 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 2.1 | CCCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
49836304 | 18539 | 1 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276219 | 18539 | 1 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
44352155 | 116782 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1021/acsmedchemlett.6b00290 | ||
CHEMBL337862 | 116782 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1021/acsmedchemlett.6b00290 | ||
44269013 | 30311 | 1 | None | -10 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL13917 | 30311 | 1 | None | -10 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
134156190 | 151341 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 215 | 5 | 2 | 3 | 1.8 | C=CCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
CHEMBL3961335 | 151341 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 215 | 5 | 2 | 3 | 1.8 | C=CCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
49836302 | 18534 | 1 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276139 | 18534 | 1 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
129928082 | 144169 | 1 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 189 | 3 | 2 | 3 | 1.4 | Cc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
CHEMBL3904276 | 144169 | 1 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 189 | 3 | 2 | 3 | 1.4 | Cc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
13123534 | 189429 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 209 | 3 | 2 | 3 | 1.8 | Clc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
CHEMBL51358 | 189429 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 209 | 3 | 2 | 3 | 1.8 | Clc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
72947314 | 92461 | 0 | None | -8 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | ||
CHEMBL2431281 | 92461 | 0 | None | -8 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | ||
49836301 | 18535 | 1 | None | -1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276140 | 18535 | 1 | None | -1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
73291731 | 92462 | 0 | None | -10 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2431282 | 92462 | 0 | None | -10 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
70693375 | 77642 | 0 | None | -5 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2089155 | 77642 | 0 | None | -5 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
49836303 | 18540 | 1 | None | -10 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276220 | 18540 | 1 | None | -10 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
44549156 | 18538 | 0 | None | -10 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276218 | 18538 | 0 | None | -10 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
2765 | 940 | 19 | None | -15 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
515 | 940 | 19 | None | -15 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
CHEMBL13852 | 940 | 19 | None | -15 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
DB09202 | 940 | 19 | None | -15 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
57345629 | 71156 | 0 | None | -45 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1956197 | 71156 | 0 | None | -45 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
24906198 | 187640 | 3 | None | -3 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL495095 | 187640 | 3 | None | -3 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
44269006 | 32323 | 1 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL14107 | 32323 | 1 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
28918670 | 92458 | 2 | None | -4 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2431279 | 92458 | 2 | None | -4 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
44376984 | 56193 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162682 | 56193 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44377200 | 57390 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 437 | 3 | 0 | 5 | 4.1 | Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL165350 | 57390 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 437 | 3 | 0 | 5 | 4.1 | Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
22120332 | 56015 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162490 | 56015 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 | 10.1016/s0960-894x(99)00591-0 | ||
44377036 | 120130 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL351483 | 120130 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44376954 | 55710 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 4.0 | Cc1cc(C)n2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162232 | 55710 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 4.0 | Cc1cc(C)n2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
44376923 | 56397 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL163190 | 56397 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44376958 | 57449 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL165796 | 57449 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
22120322 | 55891 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162370 | 55891 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 | 10.1016/s0960-894x(99)00591-0 | ||
44377035 | 120104 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL351200 | 120104 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44376993 | 56454 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 427 | 3 | 0 | 5 | 4.7 | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL163247 | 56454 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 427 | 3 | 0 | 5 | 4.7 | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44376900 | 56238 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 6 | 3.1 | Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162826 | 56238 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 6 | 3.1 | Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
3045401 | 56029 | 32 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162501 | 56029 | 32 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
10531 | 1408 | 21 | None | -9 | 24 | Human | 8.0 | pIC50 | = | 8 | 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 | -9 | 24 | Human | 8.0 | pIC50 | = | 8 | 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 | -9 | 24 | Human | 8.0 | pIC50 | = | 8 | 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 | -9 | 24 | Human | 8.0 | pIC50 | = | 8 | 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 | -9 | 24 | Human | 8.0 | pIC50 | = | 8 | 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 | ||
3151 | 1450 | 97 | None | -40 | 27 | Human | 6.0 | pIC50 | = | 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 | -40 | 27 | Human | 6.0 | pIC50 | = | 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 | -40 | 27 | Human | 6.0 | pIC50 | = | 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 | -40 | 27 | Human | 6.0 | pIC50 | = | 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 | -40 | 27 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
3158 | 56237 | 27 | None | -1047 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
CHEMBL1628227 | 56237 | 27 | None | -1047 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
16220269 | 189636 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
CHEMBL515170 | 189636 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
2142 | 3074 | 58 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
4920903 | 3074 | 58 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
502 | 3074 | 58 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
5775 | 3074 | 58 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
CHEMBL597 | 3074 | 58 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
DB00692 | 3074 | 58 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
25014630 | 83510 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
CHEMBL2203713 | 83510 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
3952 | 1875 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5353646 | 1875 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5443 | 1875 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5702063 | 1875 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL1331786 | 1875 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL420 | 1875 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
44318454 | 205986 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 312 | 2 | 0 | 3 | 3.5 | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
CHEMBL84931 | 205986 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 312 | 2 | 0 | 3 | 3.5 | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
5472 | 205795 | 75 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
CHEMBL1717 | 205795 | 75 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
CHEMBL833 | 205795 | 75 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
1043 | 1569 | 14 | None | -19 | 29 | Human | 7.9 | pIC50 | = | 7.9 | 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 | -19 | 29 | Human | 7.9 | pIC50 | = | 7.9 | 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 | -19 | 29 | Human | 7.9 | pIC50 | = | 7.9 | 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 | -19 | 29 | Human | 7.9 | pIC50 | = | 7.9 | 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 | -19 | 29 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
277 | 1289 | 62 | None | -42 | 46 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2913 | 1289 | 62 | None | -42 | 46 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
765 | 1289 | 62 | None | -42 | 46 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL516 | 1289 | 62 | None | -42 | 46 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
DB00434 | 1289 | 62 | None | -42 | 46 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL5070958 | 214226 | 3 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | None | None | None | NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.1c01564 | ||||
9951544 | 57346 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 3.8 | Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL165181 | 57346 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 3.8 | Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
123132228 | 156282 | 53 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 369 | 5 | 1 | 8 | 2.4 | CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1 | 10.1021/acs.jmedchem.1c02148 | ||
CHEMBL4065484 | 156282 | 53 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 369 | 5 | 1 | 8 | 2.4 | CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1 | 10.1021/acs.jmedchem.1c02148 | ||
10331436 | 323 | 10 | None | - | 6 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
160 | 323 | 10 | None | - | 6 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
CHEMBL133455 | 323 | 10 | None | - | 6 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
2105 | 3032 | 37 | None | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
2398 | 951 | 62 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
2801 | 951 | 62 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
701 | 951 | 62 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
CHEMBL415 | 951 | 62 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
DB01242 | 951 | 62 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
15730 | 71089 | 80 | None | 1 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
CHEMBL195437 | 71089 | 80 | None | 1 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
1548953 | 207656 | 27 | None | 1 | 17 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
CHEMBL954 | 207656 | 27 | None | 1 | 17 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
2683 | 102861 | 25 | None | -30 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL305906 | 102861 | 25 | None | -30 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL334255 | 102861 | 25 | None | -30 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
448537 | 160226 | 89 | None | -21 | 25 | Human | 4.8 | pIC50 | = | 4.8 | 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 | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
1212 | 1649 | 50 | None | -54 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1649 | 50 | None | -54 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1649 | 50 | None | -54 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1649 | 50 | None | -54 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1649 | 50 | None | -54 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
138753276 | 177153 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 4 | 2 | 3 | 2.8 | CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](CO)C1 | 10.1021/acs.jmedchem.9b01870 | ||
CHEMBL4634827 | 177153 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 4 | 2 | 3 | 2.8 | CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](CO)C1 | 10.1021/acs.jmedchem.9b01870 | ||
196129 | 67769 | 17 | None | -295 | 15 | Human | 5.8 | pIC50 | = | 5.8 | 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 | -295 | 15 | Human | 5.8 | pIC50 | = | 5.8 | 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 | ||
8447 | 188925 | 84 | None | -3 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
CHEMBL508112 | 188925 | 84 | None | -3 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
73453 | 29585 | 24 | None | -3 | 17 | Human | 7.8 | pIC50 | = | 7.8 | 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 | -3 | 17 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
100 | 3776 | 58 | None | -27 | 56 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
2637 | 3776 | 58 | None | -27 | 56 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
5452 | 3776 | 58 | None | -27 | 56 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
CHEMBL479 | 3776 | 58 | None | -27 | 56 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
DB00679 | 3776 | 58 | None | -27 | 56 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
3168 | 9230 | 92 | None | -63 | 22 | Human | 5.8 | pIC50 | = | 5.8 | 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 | -63 | 22 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
135 | 2515 | 43 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
1796 | 2515 | 43 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
4184 | 2515 | 43 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
CHEMBL6437 | 2515 | 43 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
DB06148 | 2515 | 43 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
138753277 | 177271 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 303 | 1 | 2 | 3 | 3.3 | Cc1cc(Br)c(NC2=NCCN2)c2ccccc12 | 10.1021/acs.jmedchem.9b01870 | ||
CHEMBL4636550 | 177271 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 303 | 1 | 2 | 3 | 3.3 | Cc1cc(Br)c(NC2=NCCN2)c2ccccc12 | 10.1021/acs.jmedchem.9b01870 | ||
2162 | 41484 | 100 | None | -1 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
CHEMBL1491 | 41484 | 100 | None | -1 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
10219 | 188772 | 37 | None | -2 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
CHEMBL493439 | 188772 | 37 | None | -2 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
CHEMBL50588 | 188772 | 37 | None | -2 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
1353 | 1898 | 93 | None | -87 | 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 | -87 | 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 | -87 | 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 | -87 | 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 | -87 | 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 | ||
9904205 | 205827 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
CHEMBL83658 | 205827 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
11057 | 176125 | 23 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
3468 | 176125 | 23 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL459265 | 176125 | 23 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL64894 | 176125 | 23 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
133 | 2479 | 52 | None | -26 | 43 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -26 | 43 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -26 | 43 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -26 | 43 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -26 | 43 | Human | 6.7 | pIC50 | = | 6.7 | 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 | ||
213 | 3824 | 55 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
2717 | 3824 | 55 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
5533 | 3824 | 55 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
CHEMBL621 | 3824 | 55 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
DB00656 | 3824 | 55 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
2247 | 504 | 81 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 504 | 81 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 504 | 81 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 504 | 81 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 504 | 81 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2335 | 11816 | 22 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
8478 | 11816 | 22 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
CHEMBL1182210 | 11816 | 22 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
CHEMBL221753 | 11816 | 22 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
1816 | 2523 | 102 | None | -38 | 18 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
4205 | 2523 | 102 | None | -38 | 18 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
7241 | 2523 | 102 | None | -38 | 18 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL654 | 2523 | 102 | None | -38 | 18 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
DB00370 | 2523 | 102 | None | -38 | 18 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
44377007 | 57118 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL164612 | 57118 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
44376975 | 55956 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.6 | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162436 | 55956 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.6 | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL5082142 | 214764 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCCN1CCOCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | ||||
1971 | 2846 | 38 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
2404 | 2846 | 38 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
4543 | 2846 | 38 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
CHEMBL445 | 2846 | 38 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
DB00540 | 2846 | 38 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
45482789 | 198902 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 6.7 | pIC50 | = | 6.7 | 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 | ||
CHEMBL5081505 | 214726 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | ||||
12488 | 1644 | 56 | None | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | 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 | ||
57345320 | 3803 | 9 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
9882 | 3803 | 9 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
CHEMBL3091687 | 3803 | 9 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
28417 | 40009 | 49 | None | -1 | 12 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
CHEMBL1479 | 40009 | 49 | None | -1 | 12 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
2286 | 3161 | 51 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
4927 | 3161 | 51 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
7282 | 3161 | 51 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL643 | 3161 | 51 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
DB01069 | 3161 | 51 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
1028 | 289 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
139148732 | 289 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
479 | 289 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
5816 | 289 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
CHEMBL679 | 289 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
DB00668 | 289 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
222757 | 99348 | 73 | None | 1 | 3 | Human | 4.6 | pIC50 | = | 4.6 | 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 | 4.6 | pIC50 | = | 4.6 | 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 | ||
2284 | 3160 | 33 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
4926 | 3160 | 33 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
7281 | 3160 | 33 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
CHEMBL564 | 3160 | 33 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
DB00420 | 3160 | 33 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
124 | 2960 | 47 | None | -60 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
2032 | 2960 | 47 | None | -60 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
4636 | 2960 | 47 | None | -60 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
CHEMBL762 | 2960 | 47 | None | -60 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
DB00935 | 2960 | 47 | None | -60 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 10.1021/jm900458r | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 10.1021/jm900458r | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 10.1021/jm900458r | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 10.1021/jm900458r | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 10.1021/jm900458r | ||
44377006 | 57433 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL165677 | 57433 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
3191 | 102831 | 97 | None | -3 | 25 | Human | 6.6 | pIC50 | = | 6.6 | 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 | -3 | 25 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
2353 | 101085 | 82 | None | -1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
CHEMBL12089 | 101085 | 82 | None | -1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
CHEMBL295124 | 101085 | 82 | None | -1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
44376927 | 55607 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 461 | 3 | 0 | 5 | 5.0 | Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162147 | 55607 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 461 | 3 | 0 | 5 | 5.0 | Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL5076569 | 214426 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.1c01564 | ||||
4011 | 82379 | 49 | None | -28 | 24 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL21731 | 82379 | 49 | None | -28 | 24 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
6918276 | 15579 | 7 | None | -47 | 8 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
CHEMBL1221512 | 15579 | 7 | None | -47 | 8 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
60838 | 183850 | 99 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
CHEMBL481 | 183850 | 99 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
191 | 402 | 98 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
201 | 402 | 98 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
2170 | 402 | 98 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
CHEMBL1113 | 402 | 98 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
DB00543 | 402 | 98 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
657255 | 199061 | 34 | None | -8 | 15 | Human | 5.5 | pIC50 | = | 5.5 | 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 | -8 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -2 | 50 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -2 | 50 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -2 | 50 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -2 | 50 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
2726 | 916 | 68 | None | -31 | 73 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 916 | 68 | None | -31 | 73 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 916 | 68 | None | -31 | 73 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 916 | 68 | None | -31 | 73 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 916 | 68 | None | -31 | 73 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
2600 | 3750 | 74 | None | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
134551 | 357 | 27 | None | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
237 | 204842 | 48 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL546257 | 204842 | 48 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL554190 | 204842 | 48 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL7568 | 204842 | 48 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
121432827 | 192222 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 344 | 4 | 1 | 7 | 2.7 | c1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1 | 10.1021/acs.jmedchem.1c02148 | ||
CHEMBL5205327 | 192222 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 344 | 4 | 1 | 7 | 2.7 | c1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1 | 10.1021/acs.jmedchem.1c02148 | ||
CHEMBL1200633 | 208577 | 3 | None | -1 | 8 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | ||||
1201549 | 594 | 24 | None | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | 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 | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | 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 | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | 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 | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | 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 | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | 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 | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
1588 | 2311 | 27 | None | -3 | 44 | Human | 8.4 | pIC50 | = | 8.4 | 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 | -3 | 44 | Human | 8.4 | pIC50 | = | 8.4 | 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 | -3 | 44 | Human | 8.4 | pIC50 | = | 8.4 | 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 | -3 | 44 | Human | 8.4 | pIC50 | = | 8.4 | 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 | -3 | 44 | Human | 8.4 | pIC50 | = | 8.4 | 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 | ||
3561 | 19045 | 39 | None | -2 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
CHEMBL1289 | 19045 | 39 | None | -2 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
5353853 | 17954 | 47 | None | -11 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
9556529 | 17954 | 47 | None | -11 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1262 | 17954 | 47 | None | -11 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
441383 | 20301 | 57 | None | 2 | 17 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
CHEMBL1306 | 20301 | 57 | None | 2 | 17 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
135 | 2515 | 43 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
1796 | 2515 | 43 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
4184 | 2515 | 43 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
CHEMBL6437 | 2515 | 43 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
DB06148 | 2515 | 43 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
2337 | 3232 | 77 | None | -10 | 63 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
50 | 3232 | 77 | None | -10 | 63 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
5002 | 3232 | 77 | None | -10 | 63 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
CHEMBL716 | 3232 | 77 | None | -10 | 63 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
DB01224 | 3232 | 77 | None | -10 | 63 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
2406 | 100376 | 89 | None | -11 | 12 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
CHEMBL290106 | 100376 | 89 | None | -11 | 12 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
68617 | 205504 | 62 | None | -9 | 26 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -9 | 26 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -9 | 26 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
6761 | 67770 | 19 | None | -3 | 18 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
CHEMBL1909072 | 67770 | 19 | None | -3 | 18 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
5318 | 15544 | 49 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1200348 | 15544 | 49 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1221 | 15544 | 49 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL508338 | 188942 | 0 | None | -25 | 6 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | None | nan | ||||
31101 | 726 | 40 | None | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | 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 | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | 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 | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | 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 | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | 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 | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | 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 | ||
1836 | 2574 | 59 | None | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | ||
12575 | 1975 | 30 | None | -8 | 17 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
54459 | 1975 | 30 | None | -8 | 17 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL10316 | 1975 | 30 | None | -8 | 17 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
135398745 | 2893 | 112 | None | -30 | 66 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
47 | 2893 | 112 | None | -30 | 66 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
CHEMBL715 | 2893 | 112 | None | -30 | 66 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
DB00334 | 2893 | 112 | None | -30 | 66 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
11080 | 29054 | 79 | None | -3 | 6 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
CHEMBL1381098 | 29054 | 79 | None | -3 | 6 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
44376845 | 55515 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 419 | 5 | 0 | 7 | 3.4 | COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL162058 | 55515 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 419 | 5 | 0 | 7 | 3.4 | COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC | 10.1016/s0960-894x(99)00591-0 | ||
180 | 400 | 56 | None | -16 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
200 | 400 | 56 | None | -16 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2160 | 400 | 56 | None | -16 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
CHEMBL629 | 400 | 56 | None | -16 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
DB00321 | 400 | 56 | None | -16 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
44376936 | 57444 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 373 | 4 | 0 | 5 | 3.7 | Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
CHEMBL165776 | 57444 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 373 | 4 | 0 | 5 | 3.7 | Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
3584 | 3748 | 64 | None | -50 | 14 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
5401 | 3748 | 64 | None | -50 | 14 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
7302 | 3748 | 64 | None | -50 | 14 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
CHEMBL611 | 3748 | 64 | None | -50 | 14 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
DB01162 | 3748 | 64 | None | -50 | 14 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
1343 | 1876 | 62 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
3519 | 1876 | 62 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
522 | 1876 | 62 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
CHEMBL862 | 1876 | 62 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
DB01018 | 1876 | 62 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
4209 | 3141 | 75 | None | -181 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
4893 | 3141 | 75 | None | -181 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
503 | 3141 | 75 | None | -181 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
5385 | 3141 | 75 | None | -181 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
CHEMBL2 | 3141 | 75 | None | -181 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
DB00457 | 3141 | 75 | None | -181 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
1547484 | 937 | 74 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
654 | 937 | 74 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
9072 | 937 | 74 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL43064 | 937 | 74 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB00568 | 937 | 74 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
3598 | 187797 | 76 | None | -1 | 7 | Human | 5.2 | pIC50 | = | 5.2 | 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 | -1 | 7 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
135398737 | 955 | 93 | None | -3 | 92 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 955 | 93 | None | -3 | 92 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 955 | 93 | None | -3 | 92 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 955 | 93 | None | -3 | 92 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 955 | 93 | None | -3 | 92 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
42574 | 15255 | 90 | None | -18 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | ||
CHEMBL12131 | 15255 | 90 | None | -18 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | ||
2351 | 3261 | 64 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
2820 | 3261 | 64 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
5035 | 3261 | 64 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
CHEMBL81 | 3261 | 64 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
DB00481 | 3261 | 64 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
42636941 | 178925 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
240 | 941 | 43 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
2769 | 941 | 43 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
44279790 | 941 | 43 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
660 | 941 | 43 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL1729 | 941 | 43 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL560739 | 941 | 43 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
DB00604 | 941 | 43 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
104903 | 56314 | 17 | None | -1 | 6 | Human | 5.1 | pIC50 | = | 5.1 | 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 | -1 | 6 | Human | 5.1 | pIC50 | = | 5.1 | 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 | ||
107715 | 200922 | 22 | None | -7 | 20 | Human | 8.1 | pIC50 | = | 8.1 | 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 | -7 | 20 | Human | 8.1 | pIC50 | = | 8.1 | 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 | -7 | 20 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
2274 | 3151 | 58 | None | -4 | 32 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
4917 | 3151 | 58 | None | -4 | 32 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
7279 | 3151 | 58 | None | -4 | 32 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
CHEMBL728 | 3151 | 58 | None | -4 | 32 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
DB00433 | 3151 | 58 | None | -4 | 32 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
CHEMBL5077132 | 214461 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21)C1CCOCC1 | 10.1021/acs.jmedchem.1c01564 | ||||
10381889 | 107042 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
CHEMBL315772 | 107042 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
132256889 | 190423 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 378 | 5 | 1 | 7 | 3.6 | COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | 10.1021/acs.jmedchem.1c02148 | ||
CHEMBL5178464 | 190423 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 378 | 5 | 1 | 7 | 3.6 | COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | 10.1021/acs.jmedchem.1c02148 | ||
CHEMBL5083458 | 214840 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCCNC1COC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | ||||
2389 | 3306 | 118 | None | -10 | 68 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
5073 | 3306 | 118 | None | -10 | 68 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
96 | 3306 | 118 | None | -10 | 68 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
CHEMBL85 | 3306 | 118 | None | -10 | 68 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
DB00734 | 3306 | 118 | None | -10 | 68 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
2585 | 800 | 103 | None | -16 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
522 | 800 | 103 | None | -16 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
551 | 800 | 103 | None | -16 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
CHEMBL723 | 800 | 103 | None | -16 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
DB01136 | 800 | 103 | None | -16 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
26987 | 946 | 33 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
6063 | 946 | 33 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
671 | 946 | 33 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
CHEMBL1626 | 946 | 33 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
DB00283 | 946 | 33 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
136019934 | 144505 | 0 | None | 7 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL390718 | 144505 | 0 | None | 7 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
44324800 | 206925 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL91157 | 206925 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44324800 | 206925 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL91157 | 206925 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
49781228 | 17173 | 1 | None | -3 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
CHEMBL1256414 | 17173 | 1 | None | -3 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
52944548 | 17120 | 0 | None | -1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.0 | CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1255723 | 17120 | 0 | None | -1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.0 | CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
49781228 | 17173 | 1 | None | -3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
CHEMBL1256414 | 17173 | 1 | None | -3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
44330168 | 4288 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL100879 | 4288 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330668 | 4404 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL101596 | 4404 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330617 | 96591 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL263424 | 96591 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
11225779 | 107705 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL319119 | 107705 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324972 | 163348 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL419316 | 163348 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324800 | 206925 | 0 | None | 5 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL91157 | 206925 | 0 | None | 5 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330653 | 208209 | 0 | None | 8 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL98646 | 208209 | 0 | None | 8 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324972 | 163348 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL419316 | 163348 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44325050 | 207258 | 0 | None | 3 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL93171 | 207258 | 0 | None | 3 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44324972 | 163348 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL419316 | 163348 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
49781228 | 17173 | 1 | None | -3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
CHEMBL1256414 | 17173 | 1 | None | -3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
16655023 | 107414 | 2 | None | 5 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL318235 | 107414 | 2 | None | 5 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
52941512 | 17166 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256378 | 17166 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
44330369 | 111555 | 0 | None | 4 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL328195 | 111555 | 0 | None | 4 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
10480357 | 208195 | 0 | None | 9 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL98541 | 208195 | 0 | None | 9 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330114 | 108055 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL319530 | 108055 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330635 | 208403 | 0 | None | 2 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL99868 | 208403 | 0 | None | 2 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1 | 10.1016/j.bmcl.2004.03.031 | ||
52948958 | 17121 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.4 | CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1255724 | 17121 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.4 | CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
44579228 | 181630 | 0 | None | 13 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL477608 | 181630 | 0 | None | 13 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/j.ejmech.2014.12.045 | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/j.ejmech.2014.12.045 | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/j.ejmech.2014.12.045 | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/j.ejmech.2014.12.045 | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/j.ejmech.2014.12.045 | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1021/jm401895u | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1021/jm401895u | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1021/jm401895u | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1021/jm401895u | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1021/jm401895u | ||
44330645 | 208411 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL99916 | 208411 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324765 | 111541 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL328114 | 111541 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44324765 | 111541 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL328114 | 111541 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
49781222 | 17219 | 0 | None | -2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 3.0 | C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256609 | 17219 | 0 | None | -2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 3.0 | C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
44579230 | 181520 | 0 | None | 8 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL476569 | 181520 | 0 | None | 8 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
44330368 | 112165 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL329065 | 112165 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44325049 | 111496 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL327875 | 111496 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
1588 | 2311 | 27 | None | -3 | 44 | Human | 9.2 | pKi | = | 9.2 | 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 | -3 | 44 | Human | 9.2 | pKi | = | 9.2 | 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 | -3 | 44 | Human | 9.2 | pKi | = | 9.2 | 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 | -3 | 44 | Human | 9.2 | pKi | = | 9.2 | 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 | -3 | 44 | Human | 9.2 | pKi | = | 9.2 | 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 | ||
11203101 | 71654 | 0 | None | 44 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 515 | 7 | 3 | 5 | 4.1 | O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL196451 | 71654 | 0 | None | 44 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 515 | 7 | 3 | 5 | 4.1 | O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | ||
16655023 | 107414 | 2 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL318235 | 107414 | 2 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
16655023 | 107414 | 2 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL318235 | 107414 | 2 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330427 | 163351 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL419336 | 163351 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330598 | 207615 | 0 | None | 8 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL95218 | 207615 | 0 | None | 8 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
108094 | 3397 | 27 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
526 | 3397 | 27 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
528 | 3397 | 27 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL10332 | 3397 | 27 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
499 | 4046 | 18 | None | -3 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
5685 | 4046 | 18 | None | -3 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
CHEMBL25554 | 4046 | 18 | None | -3 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
44579229 | 189592 | 0 | None | 6 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL514837 | 189592 | 0 | None | 6 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
44579187 | 189655 | 0 | None | 25 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL515331 | 189655 | 0 | None | 25 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
44438167 | 148946 | 0 | None | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL394218 | 148946 | 0 | None | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1021/acs.jmedchem.9b01465 | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1021/acs.jmedchem.9b01465 | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1021/acs.jmedchem.9b01465 | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1021/acs.jmedchem.9b01465 | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1021/acs.jmedchem.9b01465 | ||
10028898 | 111628 | 0 | None | 11 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL328631 | 111628 | 0 | None | 11 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324737 | 207215 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL92860 | 207215 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44324737 | 207215 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
CHEMBL92860 | 207215 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
25110718 | 193285 | 0 | None | 16 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL524153 | 193285 | 0 | None | 16 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
44330857 | 4362 | 0 | None | 5 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL101361 | 4362 | 0 | None | 5 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
136019934 | 144505 | 0 | None | 7 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL390718 | 144505 | 0 | None | 7 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
124 | 2960 | 47 | None | -60 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
2032 | 2960 | 47 | None | -60 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
4636 | 2960 | 47 | None | -60 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL762 | 2960 | 47 | None | -60 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
DB00935 | 2960 | 47 | None | -60 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
136 | 3267 | 32 | None | 3 | 16 | Human | 9.0 | pKi | = | 9 | 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 | 10.1021/jm00019a001 | ||
223 | 3267 | 32 | None | 3 | 16 | Human | 9.0 | pKi | = | 9 | 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 | 10.1021/jm00019a001 | ||
643606 | 3267 | 32 | None | 3 | 16 | Human | 9.0 | pKi | = | 9 | 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 | 10.1021/jm00019a001 | ||
CHEMBL10347 | 3267 | 32 | None | 3 | 16 | Human | 9.0 | pKi | = | 9 | 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 | 10.1021/jm00019a001 | ||
44402346 | 132714 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 530 | 7 | 4 | 5 | 3.9 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL369938 | 132714 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 530 | 7 | 4 | 5 | 3.9 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | ||
135398737 | 955 | 93 | None | -3 | 92 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 955 | 93 | None | -3 | 92 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 955 | 93 | None | -3 | 92 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 955 | 93 | None | -3 | 92 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 955 | 93 | None | -3 | 92 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
52950140 | 17126 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 1 | 1 | 1 | 3.0 | CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1255770 | 17126 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 1 | 1 | 1 | 3.0 | CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
107715 | 200922 | 22 | None | -7 | 20 | Human | 8.9 | pKi | = | 8.9 | 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 | -7 | 20 | Human | 8.9 | pKi | = | 8.9 | 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 | -7 | 20 | Human | 8.9 | pKi | = | 8.9 | 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 | ||
49781223 | 17220 | 0 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.3 | CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256610 | 17220 | 0 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.3 | CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
2389 | 3306 | 118 | None | -10 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
5073 | 3306 | 118 | None | -10 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
96 | 3306 | 118 | None | -10 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
CHEMBL85 | 3306 | 118 | None | -10 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
DB00734 | 3306 | 118 | None | -10 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
10824121 | 120455 | 1 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | ||
CHEMBL1203852 | 120455 | 1 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | ||
CHEMBL354272 | 120455 | 1 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | ||
44324800 | 206925 | 0 | None | 5 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL91157 | 206925 | 0 | None | 5 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
49781224 | 17111 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.7 | CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1255616 | 17111 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.7 | CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
10531 | 1408 | 21 | None | -9 | 24 | Human | 8.8 | pKi | = | 8.8 | 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 | -9 | 24 | Human | 8.8 | pKi | = | 8.8 | 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 | -9 | 24 | Human | 8.8 | pKi | = | 8.8 | 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 | -9 | 24 | Human | 8.8 | pKi | = | 8.8 | 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 | -9 | 24 | Human | 8.8 | pKi | = | 8.8 | 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 | ||
49781007 | 17209 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 254 | 4 | 1 | 2 | 3.3 | CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256566 | 17209 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 254 | 4 | 1 | 2 | 3.3 | CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
44324937 | 206890 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90943 | 206890 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
1043 | 1569 | 14 | None | -19 | 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 | -19 | 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 | -19 | 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 | -19 | 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 | -19 | 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 | ||
44579272 | 187071 | 0 | None | 5 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL491420 | 187071 | 0 | None | 5 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
56944383 | 112092 | 0 | None | -3 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 5.1 | O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1 | 10.1021/jm401895u | ||
CHEMBL3290012 | 112092 | 0 | None | -3 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 5.1 | O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1 | 10.1021/jm401895u | ||
44324906 | 206764 | 0 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90247 | 206764 | 0 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
44324725 | 206794 | 0 | None | 13 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 8 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90419 | 206794 | 0 | None | 13 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 8 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
49781005 | 17182 | 0 | None | -3 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256503 | 17182 | 0 | None | -3 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
2389 | 3306 | 118 | None | -10 | 68 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
5073 | 3306 | 118 | None | -10 | 68 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
96 | 3306 | 118 | None | -10 | 68 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
CHEMBL85 | 3306 | 118 | None | -10 | 68 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
DB00734 | 3306 | 118 | None | -10 | 68 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
16655023 | 107414 | 2 | None | 5 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL318235 | 107414 | 2 | None | 5 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
44330621 | 4370 | 0 | None | 6 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 483 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL101411 | 4370 | 0 | None | 6 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 483 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44324972 | 163348 | 0 | None | 2 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL419316 | 163348 | 0 | None | 2 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
49781006 | 17208 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 240 | 3 | 1 | 2 | 2.9 | CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256565 | 17208 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 240 | 3 | 1 | 2 | 2.9 | CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
441082 | 1154 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
8981 | 1154 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
CHEMBL191703 | 1154 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
441082 | 1154 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
8981 | 1154 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
CHEMBL191703 | 1154 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
10707358 | 179261 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.2 | c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL47313 | 179261 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.2 | c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
242 | 469 | 124 | None | -23 | 52 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
34 | 469 | 124 | None | -23 | 52 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
60795 | 469 | 124 | None | -23 | 52 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
CHEMBL1112 | 469 | 124 | None | -23 | 52 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
DB01238 | 469 | 124 | None | -23 | 52 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
135398737 | 955 | 93 | None | -3 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
38 | 955 | 93 | None | -3 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
722 | 955 | 93 | None | -3 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
CHEMBL42 | 955 | 93 | None | -3 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
DB00363 | 955 | 93 | None | -3 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
135398745 | 2893 | 112 | None | -30 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
47 | 2893 | 112 | None | -30 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
CHEMBL715 | 2893 | 112 | None | -30 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
DB00334 | 2893 | 112 | None | -30 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
2337 | 3232 | 77 | None | -10 | 63 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
50 | 3232 | 77 | None | -10 | 63 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
5002 | 3232 | 77 | None | -10 | 63 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
CHEMBL716 | 3232 | 77 | None | -10 | 63 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
DB01224 | 3232 | 77 | None | -10 | 63 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
16090600 | 169157 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL440594 | 169157 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
9982218 | 101737 | 6 | None | -12 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL1435188 | 101737 | 6 | None | -12 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL299879 | 101737 | 6 | None | -12 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
16090600 | 169157 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL440594 | 169157 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1021/jm060262x | ||
10793665 | 106925 | 0 | None | -562 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | ||
CHEMBL314960 | 106925 | 0 | None | -562 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | ||
42574 | 15255 | 90 | None | -18 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | ||
CHEMBL12131 | 15255 | 90 | None | -18 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | ||
153287553 | 171080 | 0 | None | -158 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4457754 | 171080 | 0 | None | -158 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
2719 | 914 | 74 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
5535 | 914 | 74 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
607 | 914 | 74 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
CHEMBL76 | 914 | 74 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
DB00608 | 914 | 74 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
9817231 | 158212 | 22 | None | -1 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | ||
CHEMBL4088272 | 158212 | 22 | None | -1 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | ||
3598 | 187797 | 76 | None | -1 | 7 | Human | 6.0 | pKi | = | 6.0 | 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 | -1 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
11801828 | 206521 | 0 | None | -63 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
CHEMBL88628 | 206521 | 0 | None | -63 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
132584404 | 143324 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 416 | 3 | 0 | 2 | 6.7 | CCCN1CC[C@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@H](CC)[C@H]3CCC[C@@H]1[C@@H]32 | 10.1016/j.bmcl.2016.10.065 | ||
CHEMBL3897499 | 143324 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 416 | 3 | 0 | 2 | 6.7 | CCCN1CC[C@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@H](CC)[C@H]3CCC[C@@H]1[C@@H]32 | 10.1016/j.bmcl.2016.10.065 | ||
11333552 | 121689 | 5 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1ccccc1OCC1CNCCO1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588908 | 121689 | 5 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1ccccc1OCC1CNCCO1 | 10.1016/j.bmc.2015.01.013 | ||
2351 | 3261 | 64 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
2820 | 3261 | 64 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
5035 | 3261 | 64 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
CHEMBL81 | 3261 | 64 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
DB00481 | 3261 | 64 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
122180567 | 121685 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588904 | 121685 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
11948707 | 166143 | 0 | None | -269 | 13 | Human | 7.0 | pKi | = | 7.0 | 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 | -269 | 13 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
16090635 | 82486 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217768 | 82486 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1016/j.ejmech.2010.12.026 | ||
44289035 | 100486 | 0 | None | -575 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL291166 | 100486 | 0 | None | -575 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
127036186 | 137389 | 0 | None | -34 | 19 | Human | 6.0 | pKi | = | 6.0 | 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 | -34 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
44210114 | 192692 | 19 | None | -6 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1 | 10.1016/j.bmcl.2021.128275 | ||
CHEMBL5219924 | 192692 | 19 | None | -6 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1 | 10.1016/j.bmcl.2021.128275 | ||
11293787 | 148189 | 0 | None | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL393597 | 148189 | 0 | None | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
1393724 | 121877 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 222 | 3 | 1 | 2 | 2.7 | N#Cc1cccc(-c2ccccc2CCN)c1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3590203 | 121877 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 222 | 3 | 1 | 2 | 2.7 | N#Cc1cccc(-c2ccccc2CCN)c1 | 10.1016/j.bmc.2015.01.013 | ||
16090635 | 82486 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1021/jm060262x | ||
CHEMBL217768 | 82486 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1021/jm060262x | ||
46869265 | 16225 | 0 | None | -5 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | ||
CHEMBL1224527 | 16225 | 0 | None | -5 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | ||
CHEMBL5274312 | 193785 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 4 | 0 | 3 | 5.0 | CC[Si](C#Cc1cccc2c1OC(C(F)(F)F)C([N+](=O)[O-])=C2)(CC)CC | 10.1016/j.bmcl.2022.128981 | ||
10489502 | 4486 | 2 | None | -11 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 227 | 2 | 2 | 2 | 3.5 | Clc1cccc(Cl)c1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
CHEMBL1022 | 4486 | 2 | None | -11 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 227 | 2 | 2 | 2 | 3.5 | Clc1cccc(Cl)c1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
49836307 | 18753 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1278085 | 18753 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
240 | 941 | 43 | None | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
11386747 | 75462 | 9 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 4 | 1 | 5 | 6.4 | CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12 | 10.6019/CHEMBL5212743 | ||
CHEMBL204232 | 75462 | 9 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 4 | 1 | 5 | 6.4 | CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12 | 10.6019/CHEMBL5212743 | ||
11140347 | 204510 | 1 | None | -18 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72768 | 204510 | 1 | None | -18 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
71455894 | 83773 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205827 | 83773 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
71455894 | 83773 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2205827 | 83773 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
104903 | 56314 | 17 | None | -1 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | -1 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | ||
10841190 | 107015 | 0 | None | -162 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | ||
CHEMBL315538 | 107015 | 0 | None | -162 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | ||
44311789 | 204712 | 0 | None | 1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL74342 | 204712 | 0 | None | 1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
10220337 | 200428 | 53 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 236 | 2 | 0 | 2 | 2.7 | Brc1cccc(Cn2ccnc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL598391 | 200428 | 53 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 236 | 2 | 0 | 2 | 2.7 | Brc1cccc(Cn2ccnc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
2274 | 3151 | 58 | None | -4 | 32 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
4917 | 3151 | 58 | None | -4 | 32 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
7279 | 3151 | 58 | None | -4 | 32 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
CHEMBL728 | 3151 | 58 | None | -4 | 32 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
DB00433 | 3151 | 58 | None | -4 | 32 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
218362 | 204777 | 5 | None | -5 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL75030 | 204777 | 5 | None | -5 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
68712 | 100310 | 60 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL289480 | 100310 | 60 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/j.bmc.2012.06.008 | ||
9883506 | 70535 | 0 | None | 1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
CHEMBL194849 | 70535 | 0 | None | 1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
9816048 | 187254 | 0 | None | -12 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 231 | 1 | 4 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1021/jm960359r | ||
CHEMBL49284 | 187254 | 0 | None | -12 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 231 | 1 | 4 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1021/jm960359r | ||
118717249 | 115099 | 0 | None | -18 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.ejmech.2014.09.083 | ||
CHEMBL3343700 | 115099 | 0 | None | -18 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.ejmech.2014.09.083 | ||
50985821 | 176194 | 31 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 474 | 5 | 2 | 5 | 6.2 | N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1 | 10.1021/acs.jmedchem.2c00204 | ||
CHEMBL4594433 | 176194 | 31 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 474 | 5 | 2 | 5 | 6.2 | N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1 | 10.1021/acs.jmedchem.2c00204 | ||
44292232 | 101294 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL296660 | 101294 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
9971924 | 184202 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL48341 | 184202 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
11221758 | 84588 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222138 | 84588 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 | 10.1021/jm0408215 | ||
49836304 | 18539 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276219 | 18539 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
49836304 | 18539 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276219 | 18539 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
49836305 | 18544 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276248 | 18544 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
56852956 | 112016 | 1 | None | -32 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
CHEMBL3289656 | 112016 | 1 | None | -32 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
24906203 | 187194 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
CHEMBL492445 | 187194 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
11380132 | 84390 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL221989 | 84390 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 | 10.1021/jm0408215 | ||
56852956 | 112016 | 1 | None | -32 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
CHEMBL3289656 | 112016 | 1 | None | -32 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
44371744 | 50291 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL157206 | 50291 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
2585 | 800 | 103 | None | -16 | 22 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
522 | 800 | 103 | None | -16 | 22 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
551 | 800 | 103 | None | -16 | 22 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
CHEMBL723 | 800 | 103 | None | -16 | 22 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
DB01136 | 800 | 103 | None | -16 | 22 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
44325044 | 207360 | 0 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL93801 | 207360 | 0 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
213041 | 17101 | 28 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.0 | CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1 | 10.1021/jm1006269 | ||
CHEMBL1255582 | 17101 | 28 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.0 | CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1 | 10.1021/jm1006269 | ||
CHEMBL4535474 | 213965 | 39 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | ||||
489 | 145 | 28 | None | -380 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
5640 | 145 | 28 | None | -380 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
CHEMBL420060 | 145 | 28 | None | -380 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
11371902 | 141613 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL385310 | 141613 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
11371902 | 141613 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL385310 | 141613 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
11741010 | 83222 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
CHEMBL218730 | 83222 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
11741010 | 83222 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL218730 | 83222 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
135356876 | 174050 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 464 | 5 | 2 | 6 | 5.5 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)s3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
CHEMBL4544251 | 174050 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 464 | 5 | 2 | 6 | 5.5 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)s3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
9809007 | 172540 | 8 | None | -724 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
CHEMBL448620 | 172540 | 8 | None | -724 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
16090598 | 82426 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217568 | 82426 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
16090598 | 82426 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL217568 | 82426 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
71450548 | 83771 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205824 | 83771 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
42656257 | 121693 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 242 | 2 | 1 | 3 | 2.6 | COc1ccc(C2NCCCn3cccc32)cc1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588912 | 121693 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 242 | 2 | 1 | 3 | 2.6 | COc1ccc(C2NCCCn3cccc32)cc1 | 10.1016/j.bmc.2015.01.013 | ||
26987 | 946 | 33 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
6063 | 946 | 33 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
671 | 946 | 33 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
CHEMBL1626 | 946 | 33 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
DB00283 | 946 | 33 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
10198248 | 187425 | 40 | None | -6 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL49395 | 187425 | 40 | None | -6 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
13091268 | 78195 | 0 | None | -158 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 6 | 1 | 3 | 5.0 | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
CHEMBL210578 | 78195 | 0 | None | -158 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 6 | 1 | 3 | 5.0 | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
44582678 | 181550 | 0 | None | 3 | 10 | Human | 6.8 | pKi | = | 6.8 | 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 | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
11108001 | 10840 | 2 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL117248 | 10840 | 2 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540542 | 10840 | 2 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11380133 | 169343 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL442045 | 169343 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 | 10.1021/jm0408215 | ||
3151 | 1450 | 97 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
945 | 1450 | 97 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
965 | 1450 | 97 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
CHEMBL219916 | 1450 | 97 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
DB01184 | 1450 | 97 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
73291731 | 92462 | 0 | None | -10 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2431282 | 92462 | 0 | None | -10 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
45487955 | 198287 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL576078 | 198287 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
9827677 | 168398 | 0 | None | -7413 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL43491 | 168398 | 0 | None | -7413 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
50878551 | 90716 | 61 | None | -22 | 18 | Human | 5.8 | pKi | = | 5.8 | 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 | -22 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
44455426 | 155125 | 0 | None | -2 | 12 | Human | 6.8 | pKi | = | 6.8 | 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 | -2 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
144852560 | 170912 | 0 | None | -85 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 343 | 2 | 2 | 5 | 3.8 | Clc1ccc(C#Cc2nc(NC3CCCC3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
CHEMBL4455344 | 170912 | 0 | None | -85 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 343 | 2 | 2 | 5 | 3.8 | Clc1ccc(C#Cc2nc(NC3CCCC3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
71463063 | 83772 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205825 | 83772 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
21830793 | 91806 | 10 | None | -100 | 46 | Human | 7.8 | pKi | = | 7.8 | 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 | -100 | 46 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
10044968 | 96516 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL262901 | 96516 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
10044968 | 96516 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
CHEMBL262901 | 96516 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
44579231 | 181543 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 6 | 1 | 6 | 1.7 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL476774 | 181543 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 6 | 1 | 6 | 1.7 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1 | 10.1016/j.bmcl.2008.08.055 | ||
3158 | 56237 | 27 | None | -1047 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
CHEMBL1628227 | 56237 | 27 | None | -1047 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
10609673 | 103749 | 0 | None | -11 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 4 | 2 | 4 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1OC | 10.1021/jm9605142 | ||
CHEMBL308863 | 103749 | 0 | None | -11 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 4 | 2 | 4 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1OC | 10.1021/jm9605142 | ||
118734875 | 118711 | 0 | None | -489 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | ||
CHEMBL3417585 | 118711 | 0 | None | -489 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | ||
73352414 | 92503 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432038 | 92503 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | ||
737253 | 118477 | 139 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccc(N)cc2)CC1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL341473 | 118477 | 139 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccc(N)cc2)CC1 | 10.1016/j.bmc.2015.01.013 | ||
32238 | 22623 | 114 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL1327 | 22623 | 114 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | ||
44582705 | 186972 | 0 | None | 3 | 13 | Human | 6.8 | pKi | = | 6.8 | 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 | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
71463022 | 83669 | 7 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 8 | 0 | 5 | 5.3 | COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC | 10.1016/j.bmc.2012.09.044 | ||
CHEMBL2205362 | 83669 | 7 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 8 | 0 | 5 | 5.3 | COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC | 10.1016/j.bmc.2012.09.044 | ||
770500 | 121690 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588909 | 121690 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
4306793 | 121691 | 1 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 282 | 3 | 1 | 3 | 2.6 | O=C(CCC1CCCC1)N1CCSC12CCNCC2 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588910 | 121691 | 1 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 282 | 3 | 1 | 3 | 2.6 | O=C(CCC1CCCC1)N1CCSC12CCNCC2 | 10.1016/j.bmc.2015.01.013 | ||
10651654 | 111456 | 0 | None | -85 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | ||
CHEMBL327712 | 111456 | 0 | None | -85 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | ||
24906202 | 187193 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
CHEMBL492444 | 187193 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
3652 | 46214 | 70 | None | -2 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
CHEMBL1535 | 46214 | 70 | None | -2 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
16090626 | 82106 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL216727 | 82106 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
2142 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
4920903 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
502 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
5775 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
CHEMBL597 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
DB00692 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
16090626 | 82106 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL216727 | 82106 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
9906978 | 42681 | 2 | None | -1 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
CHEMBL150161 | 42681 | 2 | None | -1 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
10527469 | 156241 | 3 | None | -35 | 16 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
CHEMBL40650 | 156241 | 3 | None | -35 | 16 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
11211035 | 84974 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL223836 | 84974 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
11211035 | 84974 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223836 | 84974 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
2803 | 952 | 58 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
516 | 952 | 58 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
704 | 952 | 58 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
CHEMBL134 | 952 | 58 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
DB00575 | 952 | 58 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
11393666 | 192962 | 0 | None | -407 | 19 | Human | 6.8 | pKi | = | 6.8 | 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 | -407 | 19 | Human | 6.8 | pKi | = | 6.8 | 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 | -407 | 19 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
3952 | 1875 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5353646 | 1875 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5443 | 1875 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5702063 | 1875 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL1331786 | 1875 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL420 | 1875 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
92766 | 106515 | 35 | None | -1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
CHEMBL31410 | 106515 | 35 | None | -1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
44275807 | 98942 | 0 | None | -1479 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
CHEMBL27979 | 98942 | 0 | None | -1479 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
11199581 | 136534 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL373830 | 136534 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 | 10.1021/jm0408215 | ||
132060746 | 163046 | 0 | None | -9 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4176474 | 163046 | 0 | None | -9 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
9894818 | 98897 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | ||
CHEMBL279436 | 98897 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | ||
10859076 | 13650 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1194763 | 13650 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL553276 | 13650 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
9894818 | 98897 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL279436 | 98897 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
21392988 | 204794 | 4 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 156 | 0 | 0 | 4 | -0.3 | C1COC(N2CCOCC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL75201 | 204794 | 4 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 156 | 0 | 0 | 4 | -0.3 | C1COC(N2CCOCC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
11109088 | 204157 | 0 | None | -36 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70751 | 204157 | 0 | None | -36 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
4567175 | 82447 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217665 | 82447 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | ||
12575 | 1975 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | ||
54459 | 1975 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | ||
CHEMBL10316 | 1975 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | ||
11346584 | 136959 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL374584 | 136959 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
12575 | 1975 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | ||
54459 | 1975 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | ||
CHEMBL10316 | 1975 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | ||
11346584 | 136959 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL374584 | 136959 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
11346584 | 136959 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL374584 | 136959 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
3584 | 3748 | 64 | None | -50 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
5401 | 3748 | 64 | None | -50 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
7302 | 3748 | 64 | None | -50 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
CHEMBL611 | 3748 | 64 | None | -50 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
DB01162 | 3748 | 64 | None | -50 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
4567175 | 82447 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
CHEMBL217665 | 82447 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
9960497 | 117049 | 0 | None | -512 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
CHEMBL3392246 | 117049 | 0 | None | -512 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
CHEMBL5273955 | 193764 | 0 | None | -1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 305 | 3 | 2 | 2 | 4.1 | C#Cc1cc(Nc2ccccc2C(=O)O)cc(C(F)(F)F)c1 | 10.1021/acs.jmedchem.2c01997 | ||
71452382 | 83765 | 0 | None | -53 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205812 | 83765 | 0 | None | -53 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
5472 | 205795 | 75 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
CHEMBL1717 | 205795 | 75 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
CHEMBL833 | 205795 | 75 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
9815633 | 99607 | 3 | None | -44 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm990569e | ||
CHEMBL284213 | 99607 | 3 | None | -44 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm990569e | ||
9815633 | 99607 | 3 | None | -44 | 6 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm000128r | ||
CHEMBL284213 | 99607 | 3 | None | -44 | 6 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm000128r | ||
21509921 | 104431 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104091 | 104431 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
73346042 | 91805 | 5 | None | -1737 | 17 | Human | 6.8 | pKi | = | 6.8 | 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 | -1737 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
21509921 | 104431 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104091 | 104431 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
599482 | 202961 | 9 | None | -12 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 202 | 1 | 2 | 2 | 1.8 | COc1ccc2c3c([nH]c2c1)CNCC3 | 10.1016/j.bmcl.2003.09.027 | ||
CHEMBL6310 | 202961 | 9 | None | -12 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 202 | 1 | 2 | 2 | 1.8 | COc1ccc2c3c([nH]c2c1)CNCC3 | 10.1016/j.bmcl.2003.09.027 | ||
49836302 | 18534 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276139 | 18534 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
49836302 | 18534 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276139 | 18534 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
49836302 | 18534 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL1276139 | 18534 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
71452387 | 83774 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205829 | 83774 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | ||
71452387 | 83774 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2205829 | 83774 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
11225732 | 93628 | 0 | None | 16 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL246852 | 93628 | 0 | None | 16 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
1816 | 2523 | 102 | None | -38 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
4205 | 2523 | 102 | None | -38 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
7241 | 2523 | 102 | None | -38 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
CHEMBL654 | 2523 | 102 | None | -38 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
DB00370 | 2523 | 102 | None | -38 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
118734876 | 118712 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | ||
CHEMBL3417586 | 118712 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | ||
181743 | 178548 | 5 | None | -91 | 22 | Human | 6.7 | pKi | = | 6.7 | 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 | -91 | 22 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
71452384 | 83768 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205816 | 83768 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
71452384 | 83768 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2205816 | 83768 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmc.2013.07.045 | ||
277 | 1289 | 62 | None | -42 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2913 | 1289 | 62 | None | -42 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
765 | 1289 | 62 | None | -42 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL516 | 1289 | 62 | None | -42 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
DB00434 | 1289 | 62 | None | -42 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
71452383 | 83767 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205814 | 83767 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
12575 | 1975 | 30 | None | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | ||
54459 | 1975 | 30 | None | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL10316 | 1975 | 30 | None | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | ||
44438147 | 93460 | 0 | None | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL246228 | 93460 | 0 | None | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
44438152 | 93579 | 0 | None | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL246639 | 93579 | 0 | None | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | 10.1016/j.bmcl.2006.12.094 | ||
10176999 | 103527 | 21 | None | -11 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
CHEMBL308570 | 103527 | 21 | None | -11 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
44402344 | 140934 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 1 | 3 | 3 | 2.6 | O=C(O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL382310 | 140934 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 1 | 3 | 3 | 2.6 | O=C(O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
10220053 | 206897 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90997 | 206897 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1016/s0960-894x(03)00525-0 | ||
10220053 | 206897 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1021/jm049619s | ||
CHEMBL90997 | 206897 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1021/jm049619s | ||
10758200 | 63387 | 0 | None | -5 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL179648 | 63387 | 0 | None | -5 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
71151588 | 118232 | 0 | None | -1905 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 518 | 9 | 1 | 7 | 3.6 | NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 | 10.1016/j.ejmech.2014.12.045 | ||
CHEMBL3409256 | 118232 | 0 | None | -1905 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 518 | 9 | 1 | 7 | 3.6 | NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 | 10.1016/j.ejmech.2014.12.045 | ||
9895326 | 207004 | 0 | None | -177 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | ||
CHEMBL91550 | 207004 | 0 | None | -177 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | ||
44288769 | 101121 | 0 | None | -1737 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL295395 | 101121 | 0 | None | -1737 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
11301655 | 200 | 37 | None | -1258 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 3.5 | Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.7b00151 | ||
8441 | 200 | 37 | None | -1258 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 3.5 | Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.7b00151 | ||
CHEMBL127257 | 200 | 37 | None | -1258 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 3.5 | Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.7b00151 | ||
44209472 | 70143 | 2 | None | -107 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 315 | 6 | 0 | 4 | 2.8 | Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
CHEMBL1940420 | 70143 | 2 | None | -107 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 315 | 6 | 0 | 4 | 2.8 | Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
3086326 | 204508 | 22 | None | -5 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72753 | 204508 | 22 | None | -5 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
49781005 | 17182 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256503 | 17182 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
10934575 | 204463 | 0 | None | -11 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72441 | 204463 | 0 | None | -11 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44352207 | 18824 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL128168 | 18824 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
44352207 | 18824 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL128168 | 18824 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
44352207 | 18824 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL128168 | 18824 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
44352207 | 18824 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL128168 | 18824 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
44288874 | 101068 | 0 | None | -1995 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL295001 | 101068 | 0 | None | -1995 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
25142456 | 82377 | 2 | None | 3 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | ||
CHEMBL217299 | 82377 | 2 | None | 3 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | ||
44330679 | 208251 | 0 | None | 10 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 464 | 7 | 0 | 8 | 2.9 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL98889 | 208251 | 0 | None | 10 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 464 | 7 | 0 | 8 | 2.9 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
9928332 | 97151 | 5 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL268258 | 97151 | 5 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/s0960-894x(03)00525-0 | ||
9928332 | 97151 | 5 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1021/jm049619s | ||
CHEMBL268258 | 97151 | 5 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1021/jm049619s | ||
49781887 | 17112 | 0 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
CHEMBL1255617 | 17112 | 0 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
11079 | 2714 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
3369 | 2714 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
4436 | 2714 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
5509 | 2714 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL761 | 2714 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
DB06711 | 2714 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
10045713 | 166081 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL425983 | 166081 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1021/jm060262x | ||
44324887 | 164991 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL422597 | 164991 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 8.6 | pKi | = | 8.6 | 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 | 10.1021/jm00019a001 | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 8.6 | pKi | = | 8.6 | 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 | 10.1021/jm00019a001 | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 8.6 | pKi | = | 8.6 | 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 | 10.1021/jm00019a001 | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 8.6 | pKi | = | 8.6 | 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 | 10.1021/jm00019a001 | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 8.6 | pKi | = | 8.6 | 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 | 10.1021/jm00019a001 | ||
10045713 | 166081 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL425983 | 166081 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
9805944 | 56197 | 37 | None | -3 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
CHEMBL1627 | 56197 | 37 | None | -3 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
73453 | 29585 | 24 | None | -3 | 17 | Human | 8.6 | pKi | = | 8.6 | 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 | -3 | 17 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
44579271 | 187070 | 0 | None | 22 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL491419 | 187070 | 0 | None | 22 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
49781887 | 17112 | 0 | None | -5 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
CHEMBL1255617 | 17112 | 0 | None | -5 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
44402345 | 71402 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 496 | 5 | 4 | 5 | 3.5 | CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL196064 | 71402 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 496 | 5 | 4 | 5 | 3.5 | CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
44330584 | 108092 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL319573 | 108092 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
52943739 | 17127 | 0 | None | -6 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@]12C[C@@]1(c1c[nH]cn1)Cc1ccccc12 | 10.1021/jm1006269 | ||
CHEMBL1255771 | 17127 | 0 | None | -6 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@]12C[C@@]1(c1c[nH]cn1)Cc1ccccc12 | 10.1021/jm1006269 | ||
135398737 | 955 | 93 | None | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
38 | 955 | 93 | None | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
722 | 955 | 93 | None | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
CHEMBL42 | 955 | 93 | None | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
DB00363 | 955 | 93 | None | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
46225029 | 199310 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 2.4 | Fc1cccc(CCNC23OC4C5C6CC(C7C6C4C72)C53)c1 | 10.1016/j.bmcl.2009.11.019 | ||
CHEMBL590615 | 199310 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 2.4 | Fc1cccc(CCNC23OC4C5C6CC(C7C6C4C72)C53)c1 | 10.1016/j.bmcl.2009.11.019 | ||
16725934 | 147398 | 0 | None | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL392992 | 147398 | 0 | None | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
123981 | 16427 | 22 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
CHEMBL123349 | 16427 | 22 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
CHEMBL536803 | 16427 | 22 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
49781887 | 17112 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
CHEMBL1255617 | 17112 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
118656529 | 120664 | 0 | None | 2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 1 | 5 | 2.6 | Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1 | 10.1021/jm501719e | ||
CHEMBL3407810 | 120664 | 0 | None | 2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 1 | 5 | 2.6 | Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1 | 10.1021/jm501719e | ||
CHEMBL3547107 | 120664 | 0 | None | 2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 1 | 5 | 2.6 | Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1 | 10.1021/jm501719e | ||
44401041 | 70458 | 0 | None | -46 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL194659 | 70458 | 0 | None | -46 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
12574 | 2587 | 88 | None | -87 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
4810 | 2587 | 88 | None | -87 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
CHEMBL19236 | 2587 | 88 | None | -87 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
DB09242 | 2587 | 88 | None | -87 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
10032383 | 110083 | 0 | None | -194 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
136680387 | 110083 | 0 | None | -194 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL323579 | 110083 | 0 | None | -194 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
24906200 | 193132 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
CHEMBL523048 | 193132 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
9816063 | 103047 | 0 | None | -14 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm990569e | ||
CHEMBL30739 | 103047 | 0 | None | -14 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm990569e | ||
2398 | 951 | 62 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
2801 | 951 | 62 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
701 | 951 | 62 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
CHEMBL415 | 951 | 62 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
DB01242 | 951 | 62 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
2105 | 3032 | 37 | None | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | 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 | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | 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 | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | 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 | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | 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 | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
16090632 | 141691 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1021/jm060262x | ||
CHEMBL385722 | 141691 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1021/jm060262x | ||
9816063 | 103047 | 0 | None | -14 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm000128r | ||
CHEMBL30739 | 103047 | 0 | None | -14 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm000128r | ||
16090632 | 141691 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL385722 | 141691 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1016/j.ejmech.2010.12.026 | ||
15730 | 71089 | 80 | None | 1 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
CHEMBL195437 | 71089 | 80 | None | 1 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
53325861 | 56826 | 0 | None | 2 | 3 | Human | 5.7 | pKi | = | 5.7 | 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 | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | ||
53325861 | 56826 | 0 | None | 2 | 3 | Human | 5.7 | pKi | = | 5.7 | 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 | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
126225 | 94947 | 5 | None | -9 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
CHEMBL25467 | 94947 | 5 | None | -9 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
3584 | 3748 | 64 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
5401 | 3748 | 64 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
7302 | 3748 | 64 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
CHEMBL611 | 3748 | 64 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
DB01162 | 3748 | 64 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
131829 | 204704 | 15 | None | -33 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL74283 | 204704 | 15 | None | -33 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
1548953 | 207656 | 27 | None | 1 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
CHEMBL954 | 207656 | 27 | None | 1 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
2683 | 102861 | 25 | None | -30 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL305906 | 102861 | 25 | None | -30 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL334255 | 102861 | 25 | None | -30 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
11097789 | 102971 | 1 | None | -43 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL306792 | 102971 | 1 | None | -43 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11140345 | 204148 | 0 | None | -1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70692 | 204148 | 0 | None | -1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44401194 | 71266 | 0 | None | -28 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL195706 | 71266 | 0 | None | -28 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
1212 | 1649 | 50 | None | -54 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1649 | 50 | None | -54 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1649 | 50 | None | -54 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1649 | 50 | None | -54 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1649 | 50 | None | -54 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
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 | ||
26987 | 946 | 33 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
6063 | 946 | 33 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
671 | 946 | 33 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
CHEMBL1626 | 946 | 33 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
DB00283 | 946 | 33 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
3584 | 3748 | 64 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
5401 | 3748 | 64 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
7302 | 3748 | 64 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
CHEMBL611 | 3748 | 64 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
DB01162 | 3748 | 64 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
42669828 | 121692 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588911 | 121692 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | ||
15853467 | 208111 | 0 | None | -67 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL98063 | 208111 | 0 | None | -67 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | ||
10326069 | 39266 | 1 | None | -125 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
CHEMBL147077 | 39266 | 1 | None | -125 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
73349359 | 92514 | 0 | None | -3 | 8 | Human | 5.6 | pKi | = | 5.6 | 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 | -3 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
44424855 | 85425 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL226636 | 85425 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
44330609 | 163428 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL419894 | 163428 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
10324985 | 76752 | 8 | None | -17 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
CHEMBL199824 | 76752 | 8 | None | -17 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
CHEMBL2068762 | 76752 | 8 | None | -17 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
9859437 | 167998 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
CHEMBL432155 | 167998 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
3303 | 2231 | 46 | None | -338 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
5311200 | 2231 | 46 | None | -338 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
CHEMBL267014 | 2231 | 46 | None | -338 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
13149 | 2528 | 36 | None | -38 | 17 | Human | 5.6 | pKi | = | 5.6 | 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.9b01465 | ||
3034396 | 2528 | 36 | None | -38 | 17 | Human | 5.6 | pKi | = | 5.6 | 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.9b01465 | ||
CHEMBL299031 | 2528 | 36 | None | -38 | 17 | Human | 5.6 | pKi | = | 5.6 | 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.9b01465 | ||
196129 | 67769 | 17 | None | -295 | 15 | Human | 6.6 | pKi | = | 6.6 | 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 | -295 | 15 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
70693375 | 77642 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2089155 | 77642 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
11361608 | 84716 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL222928 | 84716 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
11361608 | 84716 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL222928 | 84716 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
11361608 | 84716 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222928 | 84716 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
11300487 | 84973 | 0 | None | -5 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223830 | 84973 | 0 | None | -5 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
70693375 | 77642 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL2089155 | 77642 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
286547 | 67211 | 112 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccccc2N)CC1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL1879790 | 67211 | 112 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccccc2N)CC1 | 10.1016/j.bmc.2015.01.013 | ||
4209 | 3141 | 75 | None | -181 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
4893 | 3141 | 75 | None | -181 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
503 | 3141 | 75 | None | -181 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
5385 | 3141 | 75 | None | -181 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
CHEMBL2 | 3141 | 75 | None | -181 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
DB00457 | 3141 | 75 | None | -181 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
44314198 | 104385 | 0 | None | -8 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL310335 | 104385 | 0 | None | -8 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
9815707 | 101442 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL297752 | 101442 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
10490084 | 204935 | 1 | None | -11 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 237 | 2 | 2 | 2 | 2.9 | Brc1ccccc1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
CHEMBL76457 | 204935 | 1 | None | -11 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 237 | 2 | 2 | 2 | 2.9 | Brc1ccccc1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
8447 | 188925 | 84 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
CHEMBL508112 | 188925 | 84 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
10603951 | 206493 | 0 | None | -12 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL88448 | 206493 | 0 | None | -12 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
10531532 | 207071 | 0 | None | -28 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL91956 | 207071 | 0 | None | -28 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
24906243 | 187224 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 3 | 1 | 5 | 2.5 | COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1 | 10.1021/jm800250z | ||
CHEMBL492648 | 187224 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 3 | 1 | 5 | 2.5 | COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1 | 10.1021/jm800250z | ||
11277479 | 84721 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
CHEMBL222973 | 84721 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
132060733 | 162100 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | c1ccc(CN2Cc3ccc(N4CCOCC4)cc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4161503 | 162100 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | c1ccc(CN2Cc3ccc(N4CCOCC4)cc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
71452341 | 83668 | 7 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 6 | 0 | 3 | 5.3 | Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12 | 10.1016/j.bmc.2012.09.044 | ||
10109188 | 166051 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL425803 | 166051 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
100 | 3776 | 58 | None | -27 | 56 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
2637 | 3776 | 58 | None | -27 | 56 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
5452 | 3776 | 58 | None | -27 | 56 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
CHEMBL479 | 3776 | 58 | None | -27 | 56 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
DB00679 | 3776 | 58 | None | -27 | 56 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
10109188 | 166051 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm060262x | ||
CHEMBL425803 | 166051 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm060262x | ||
44371755 | 48747 | 0 | None | -21 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL155866 | 48747 | 0 | None | -21 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
11173544 | 166237 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL426900 | 166237 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
10221004 | 204208 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70973 | 204208 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
73355420 | 92522 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.3 | COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432061 | 92522 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.3 | COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
132060743 | 162212 | 0 | None | 1 | 13 | Human | 6.6 | pKi | = | 6.6 | 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 | 1 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
3168 | 9230 | 92 | None | -63 | 22 | Human | 6.6 | pKi | = | 6.6 | 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 | -63 | 22 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
11090351 | 163367 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL419448 | 163367 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
16757089 | 92262 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL242693 | 92262 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
16757089 | 92262 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL242693 | 92262 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
10220232 | 99693 | 6 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm990569e | ||
CHEMBL284795 | 99693 | 6 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm990569e | ||
135 | 2515 | 43 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
1796 | 2515 | 43 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
4184 | 2515 | 43 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
CHEMBL6437 | 2515 | 43 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
DB06148 | 2515 | 43 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
10219 | 188772 | 37 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
CHEMBL493439 | 188772 | 37 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
CHEMBL50588 | 188772 | 37 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
44401243 | 168470 | 0 | None | -10 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL435301 | 168470 | 0 | None | -10 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
10220232 | 99693 | 6 | None | -1 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm000128r | ||
CHEMBL284795 | 99693 | 6 | None | -1 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm000128r | ||
24906199 | 187641 | 15 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL495096 | 187641 | 15 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
164615845 | 185166 | 0 | None | -2 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 389 | 2 | 1 | 4 | 3.7 | O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1 | 10.1016/j.bmcl.2021.128008 | ||
CHEMBL4857492 | 185166 | 0 | None | -2 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 389 | 2 | 1 | 4 | 3.7 | O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1 | 10.1016/j.bmcl.2021.128008 | ||
2162 | 41484 | 100 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
CHEMBL1491 | 41484 | 100 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
44269122 | 98081 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL273485 | 98081 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
45487144 | 197678 | 0 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.7 | CC(OC1=NCCN1)c1ccccc1 | 10.1021/jm901262f | ||
CHEMBL571314 | 197678 | 0 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.7 | CC(OC1=NCCN1)c1ccccc1 | 10.1021/jm901262f | ||
44269122 | 98081 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL273485 | 98081 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
10903226 | 13738 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1195368 | 13738 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL554416 | 13738 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
1353 | 1898 | 93 | None | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
3559 | 1898 | 93 | None | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
86 | 1898 | 93 | None | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
CHEMBL54 | 1898 | 93 | None | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
DB00502 | 1898 | 93 | None | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
11000184 | 13020 | 0 | None | -6 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1190038 | 13020 | 0 | None | -6 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540035 | 13020 | 0 | None | -6 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
45487089 | 197617 | 0 | None | -10 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL570863 | 197617 | 0 | None | -10 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
10923927 | 204155 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
CHEMBL70740 | 204155 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
3080926 | 155571 | 21 | None | -10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 1 | 3 | 1.8 | c1ccc2oc(C3=NCCN3)cc2c1 | 10.1021/ml400232p | ||
CHEMBL404505 | 155571 | 21 | None | -10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 1 | 3 | 1.8 | c1ccc2oc(C3=NCCN3)cc2c1 | 10.1021/ml400232p | ||
185076 | 187066 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm960359r | ||
CHEMBL49137 | 187066 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm960359r | ||
133 | 2479 | 52 | None | -26 | 43 | Human | 7.6 | pKi | = | 7.6 | 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 | -26 | 43 | Human | 7.6 | pKi | = | 7.6 | 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 | -26 | 43 | Human | 7.6 | pKi | = | 7.6 | 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 | -26 | 43 | Human | 7.6 | pKi | = | 7.6 | 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 | -26 | 43 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
185076 | 187066 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm9605142 | ||
CHEMBL49137 | 187066 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm9605142 | ||
3930 | 2138 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1016/j.ejmech.2010.12.026 | ||
540335 | 2138 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL106525 | 2138 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1016/j.ejmech.2010.12.026 | ||
139406787 | 177121 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
CHEMBL4633982 | 177121 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
11057 | 176125 | 23 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
3468 | 176125 | 23 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL459265 | 176125 | 23 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL64894 | 176125 | 23 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
57345628 | 71154 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1956195 | 71154 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
70695474 | 77643 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2089156 | 77643 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
122442272 | 138323 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769968 | 138323 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771384 | 138323 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44371864 | 51111 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL157955 | 51111 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
57345628 | 71154 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956195 | 71154 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
57345628 | 71154 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL1956195 | 71154 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
70695474 | 77643 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL2089156 | 77643 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
122442272 | 138323 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769968 | 138323 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771384 | 138323 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
73346336 | 92516 | 0 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432054 | 92516 | 0 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
3930 | 2138 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | ||
540335 | 2138 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | ||
CHEMBL106525 | 2138 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | ||
518 | 3585 | 1 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
9839317 | 3585 | 1 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
CHEMBL123138 | 3585 | 1 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
1268096 | 16133 | 26 | None | 3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
CHEMBL122404 | 16133 | 26 | None | 3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
185076 | 187066 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL49137 | 187066 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
3157 | 1458 | 71 | None | -39 | 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 | 10.1021/jm00018a001 | ||
7170 | 1458 | 71 | None | -39 | 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 | 10.1021/jm00018a001 | ||
954 | 1458 | 71 | None | -39 | 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 | 10.1021/jm00018a001 | ||
CHEMBL707 | 1458 | 71 | None | -39 | 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 | 10.1021/jm00018a001 | ||
DB00590 | 1458 | 71 | None | -39 | 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 | 10.1021/jm00018a001 | ||
10793963 | 99644 | 0 | None | -30 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL284470 | 99644 | 0 | None | -30 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
57345626 | 71151 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1956192 | 71151 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | ||
57345626 | 71151 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956192 | 71151 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
44312037 | 204596 | 1 | None | -2 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL73392 | 204596 | 1 | None | -2 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
213 | 3824 | 55 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
2717 | 3824 | 55 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
5533 | 3824 | 55 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
CHEMBL621 | 3824 | 55 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
DB00656 | 3824 | 55 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
2247 | 504 | 81 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 504 | 81 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 504 | 81 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 504 | 81 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 504 | 81 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2335 | 11816 | 22 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
8478 | 11816 | 22 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
CHEMBL1182210 | 11816 | 22 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
CHEMBL221753 | 11816 | 22 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
136680386 | 207680 | 0 | None | -60 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44328801 | 207680 | 0 | None | -60 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL95578 | 207680 | 0 | None | -60 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
132060720 | 162465 | 0 | None | -7 | 9 | Human | 5.5 | pKi | = | 5.5 | 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 | -7 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
68712 | 100310 | 60 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL289480 | 100310 | 60 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
44371745 | 49259 | 0 | None | -12 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL156336 | 49259 | 0 | None | -12 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
25130235 | 187563 | 1 | None | -8 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
CHEMBL494678 | 187563 | 1 | None | -8 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
10682720 | 205139 | 0 | None | -7 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 3.8 | COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C | 10.1021/jm9605142 | ||
CHEMBL78190 | 205139 | 0 | None | -7 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 3.8 | COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C | 10.1021/jm9605142 | ||
44579186 | 181952 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 474 | 8 | 1 | 7 | 3.1 | O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL478026 | 181952 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 474 | 8 | 1 | 7 | 3.1 | O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
44402583 | 71385 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 5 | 4 | 4 | 2.5 | O=C(O)CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL195925 | 71385 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 5 | 4 | 4 | 2.5 | O=C(O)CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
44215744 | 207419 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL94129 | 207419 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
2389 | 3306 | 118 | None | -10 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
5073 | 3306 | 118 | None | -10 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
96 | 3306 | 118 | None | -10 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
CHEMBL85 | 3306 | 118 | None | -10 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
DB00734 | 3306 | 118 | None | -10 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
44438168 | 93789 | 0 | None | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL247665 | 93789 | 0 | None | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
11653915 | 123986 | 0 | None | 1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
CHEMBL362954 | 123986 | 0 | None | 1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
16090630 | 83208 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
CHEMBL218675 | 83208 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
135 | 2515 | 43 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
1796 | 2515 | 43 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
4184 | 2515 | 43 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
CHEMBL6437 | 2515 | 43 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
DB06148 | 2515 | 43 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
16090630 | 83208 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL218675 | 83208 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | ||
2803 | 952 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
516 | 952 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
704 | 952 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
CHEMBL134 | 952 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
DB00575 | 952 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
2216 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
229 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
7117 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
CHEMBL647 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
DB00964 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
2803 | 952 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
516 | 952 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
704 | 952 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
CHEMBL134 | 952 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
DB00575 | 952 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
1971 | 2846 | 38 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
2404 | 2846 | 38 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
4543 | 2846 | 38 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
CHEMBL445 | 2846 | 38 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
DB00540 | 2846 | 38 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
44325027 | 207051 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL91824 | 207051 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
521 | 1392 | 69 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | ||
5311068 | 1392 | 69 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | ||
835 | 1392 | 69 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | ||
CHEMBL778 | 1392 | 69 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | ||
DB00633 | 1392 | 69 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | ||
9960497 | 100448 | 0 | None | -933 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
CHEMBL290860 | 100448 | 0 | None | -933 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
9894818 | 98897 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL279436 | 98897 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
10333157 | 151214 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL396013 | 151214 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
10333157 | 151214 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL396013 | 151214 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
11246610 | 84283 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL221523 | 84283 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
44209480 | 70141 | 0 | None | -281 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 6 | 0 | 3 | 3.4 | Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
CHEMBL1940418 | 70141 | 0 | None | -281 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 6 | 0 | 3 | 3.4 | Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
73353884 | 92293 | 0 | None | -2 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2429890 | 92293 | 0 | None | -2 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
11173568 | 84612 | 0 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222371 | 84612 | 0 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
24906160 | 169432 | 0 | None | -4 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL442815 | 169432 | 0 | None | -4 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
75306277 | 109227 | 0 | None | -15 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
CHEMBL3217984 | 109227 | 0 | None | -15 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
49836308 | 18752 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1278084 | 18752 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
44288945 | 168891 | 0 | None | -794 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL43860 | 168891 | 0 | None | -794 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
49836306 | 18543 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276247 | 18543 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
12488 | 1644 | 56 | None | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | 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 | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | 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 | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | 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 | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
44402352 | 71597 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 4 | 4 | 4 | 1.9 | NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL196344 | 71597 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 4 | 4 | 4 | 1.9 | NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
10266032 | 188857 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL50720 | 188857 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
10841387 | 99590 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
CHEMBL284103 | 99590 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
9894818 | 98897 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL279436 | 98897 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
10841387 | 99590 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL284103 | 99590 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
44390749 | 63880 | 0 | None | -173 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL180561 | 63880 | 0 | None | -173 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44579184 | 190929 | 4 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL518592 | 190929 | 4 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
294234 | 102866 | 3 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL305928 | 102866 | 3 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
487 | 3607 | 21 | None | -912 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
60602 | 3607 | 21 | None | -912 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
CHEMBL405355 | 3607 | 21 | None | -912 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
DB09239 | 3607 | 21 | None | -912 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
11186227 | 84693 | 0 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL222798 | 84693 | 0 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
44582676 | 189755 | 0 | None | -2 | 17 | Human | 6.5 | pKi | = | 6.5 | 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 | -2 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
9884781 | 38644 | 1 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 3.0 | c1ccc2c(c1)CC(CN1CCN(c3ccc4c(c3)OCCO4)CC1)C2 | 10.1021/acs.jmedchem.7b00151 | ||
CHEMBL146556 | 38644 | 1 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 3.0 | c1ccc2c(c1)CC(CN1CCN(c3ccc4c(c3)OCCO4)CC1)C2 | 10.1021/acs.jmedchem.7b00151 | ||
24906196 | 187222 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL492639 | 187222 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL4778870 | 214024 | 8 | None | -9 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1 | 10.6019/CHEMBL4800732 | ||||
10319299 | 81558 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL216290 | 81558 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
10132386 | 97069 | 2 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL267464 | 97069 | 2 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
16090621 | 141550 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL384925 | 141550 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
9794524 | 204820 | 2 | None | -10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 2.4 | Cc1c(Nc2ncc[nH]2)ccc2nccnc12 | 10.1021/jm9605142 | ||
CHEMBL75491 | 204820 | 2 | None | -10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 2.4 | Cc1c(Nc2ncc[nH]2)ccc2nccnc12 | 10.1021/jm9605142 | ||
CHEMBL4778870 | 214024 | 8 | None | -9 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1 | 10.6019/CHEMBL4800732 | ||||
28417 | 40009 | 49 | None | -1 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
CHEMBL1479 | 40009 | 49 | None | -1 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
1267 | 3775 | 49 | None | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
3035905 | 3775 | 49 | None | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
CHEMBL260374 | 3775 | 49 | None | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
CHEMBL4798829 | 214030 | 7 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | c1ccc2oc(-c3csc(C4CCN(Cc5nc6ncccc6[nH]5)CC4)n3)cc2c1 | 10.6019/CHEMBL5212743 | ||||
10319299 | 81558 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
CHEMBL216290 | 81558 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
10132386 | 97069 | 2 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL267464 | 97069 | 2 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1021/jm060262x | ||
16090621 | 141550 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1021/jm060262x | ||
CHEMBL384925 | 141550 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1021/jm060262x | ||
10946567 | 16437 | 0 | None | -28 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
CHEMBL123448 | 16437 | 0 | None | -28 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
155561439 | 175642 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | 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 | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 411 | 4 | 4 | 7 | 3.5 | Oc1ccc(CCNc2nc(C#Cc3ccc(Cl)s3)nc3[nH]cnc23)cc1O | 10.1039/C8MD00317C | ||
2286 | 3161 | 51 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
4927 | 3161 | 51 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
7282 | 3161 | 51 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL643 | 3161 | 51 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
DB01069 | 3161 | 51 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
44329026 | 208402 | 0 | None | -69 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL99864 | 208402 | 0 | None | -69 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
1028 | 289 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
139148732 | 289 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
479 | 289 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
5816 | 289 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
CHEMBL679 | 289 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
DB00668 | 289 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
222757 | 99348 | 73 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 5.5 | pKi | = | 5.5 | 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 | ||
44325038 | 206893 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90966 | 206893 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
3072540 | 82386 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217366 | 82386 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | ||
16757089 | 92262 | 1 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL242693 | 92262 | 1 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
2284 | 3160 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
4926 | 3160 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
7281 | 3160 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
CHEMBL564 | 3160 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
DB00420 | 3160 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
3072540 | 82386 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
CHEMBL217366 | 82386 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
242 | 469 | 124 | None | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | 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 | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | 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 | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | 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 | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | 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 | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
9809007 | 172540 | 8 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
CHEMBL448620 | 172540 | 8 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
487 | 3607 | 21 | None | -912 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
60602 | 3607 | 21 | None | -912 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
CHEMBL405355 | 3607 | 21 | None | -912 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
DB09239 | 3607 | 21 | None | -912 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
4150 | 785 | 39 | None | -95 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | ||
5288 | 785 | 39 | None | -95 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | ||
644019 | 785 | 39 | None | -95 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | ||
CHEMBL190461 | 785 | 39 | None | -95 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | ||
DB09061 | 785 | 39 | None | -95 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | ||
9809007 | 172540 | 8 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL448620 | 172540 | 8 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
9851486 | 206676 | 0 | None | -316 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL89685 | 206676 | 0 | None | -316 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
73349362 | 92521 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 5 | 0 | 1 | 3.8 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432060 | 92521 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 5 | 0 | 1 | 3.8 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
16090633 | 80432 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
CHEMBL214661 | 80432 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
16090633 | 80432 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL214661 | 80432 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
57400959 | 71159 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956200 | 71159 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
124 | 2960 | 47 | None | -60 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
2032 | 2960 | 47 | None | -60 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
4636 | 2960 | 47 | None | -60 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
CHEMBL762 | 2960 | 47 | None | -60 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
DB00935 | 2960 | 47 | None | -60 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
10436842 | 100228 | 0 | None | -4786 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL288772 | 100228 | 0 | None | -4786 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
16090597 | 141445 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL384318 | 141445 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
16090597 | 141445 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL384318 | 141445 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
10508332 | 105964 | 0 | None | -269 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | ||
CHEMBL313160 | 105964 | 0 | None | -269 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | ||
28918670 | 92458 | 2 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL2431279 | 92458 | 2 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
127036953 | 137490 | 0 | None | -39 | 22 | Human | 6.4 | pKi | = | 6.4 | 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 | -39 | 22 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
44269140 | 33523 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL14208 | 33523 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
73352415 | 92509 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432044 | 92509 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
10916464 | 204130 | 0 | None | -8 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70563 | 204130 | 0 | None | -8 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
12576 | 513 | 94 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
71310 | 513 | 94 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
CHEMBL353972 | 513 | 94 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
DB11481 | 513 | 94 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
44438166 | 93788 | 0 | None | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL247664 | 93788 | 0 | None | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
46891598 | 7144 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2010.04.099 | ||
CHEMBL1085510 | 7144 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2010.04.099 | ||
44424855 | 85425 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL226636 | 85425 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
44324859 | 111585 | 0 | None | 4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 461 | 6 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL328377 | 111585 | 0 | None | 4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 461 | 6 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44324765 | 111541 | 0 | None | 2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL328114 | 111541 | 0 | None | 2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
16090631 | 82362 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217253 | 82362 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1016/j.ejmech.2010.12.026 | ||
16090631 | 82362 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1021/jm060262x | ||
CHEMBL217253 | 82362 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1021/jm060262x | ||
3191 | 102831 | 97 | None | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | 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 | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
10655607 | 204732 | 5 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 199 | 2 | 3 | 3 | 2.0 | c1c[nH]c(Nc2ccc3[nH]cnc3c2)n1 | 10.1021/jm9605142 | ||
CHEMBL74544 | 204732 | 5 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 199 | 2 | 3 | 3 | 2.0 | c1c[nH]c(Nc2ccc3[nH]cnc3c2)n1 | 10.1021/jm9605142 | ||
12304323 | 9016 | 5 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 4 | 8 | 12 | -0.5 | O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/np1000329 | ||
CHEMBL1098724 | 9016 | 5 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 4 | 8 | 12 | -0.5 | O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/np1000329 | ||
10507651 | 206484 | 0 | None | -45 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
CHEMBL88388 | 206484 | 0 | None | -45 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
10382537 | 204143 | 12 | None | -60 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL70676 | 204143 | 12 | None | -60 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL4748908 | 214012 | 1 | None | -4 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1 | 10.6019/CHEMBL4800732 | ||||
2353 | 101085 | 82 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
CHEMBL12089 | 101085 | 82 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
CHEMBL295124 | 101085 | 82 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
CHEMBL4748908 | 214012 | 1 | None | -4 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1 | 10.6019/CHEMBL4800732 | ||||
10627021 | 107068 | 0 | None | -301 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | ||
CHEMBL315914 | 107068 | 0 | None | -301 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | ||
10317643 | 98512 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL276417 | 98512 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
10818003 | 106394 | 0 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | ||
CHEMBL313953 | 106394 | 0 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | ||
66561967 | 74675 | 0 | None | -6 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
CHEMBL2030626 | 74675 | 0 | None | -6 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
44421258 | 84717 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL1204386 | 84717 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL222933 | 84717 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
127035062 | 136426 | 0 | None | -14 | 19 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735756 | 136426 | 0 | None | -14 | 19 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
10317643 | 98512 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
CHEMBL276417 | 98512 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
155770281 | 177723 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
CHEMBL4642592 | 177723 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
122186880 | 122954 | 0 | None | -4 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 415 | 3 | 0 | 5 | 4.8 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
71463061 | 83766 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205813 | 83766 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
2435 | 719 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
395 | 719 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
520 | 719 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
5386 | 719 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
CHEMBL844 | 719 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
DB00484 | 719 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
44328654 | 107158 | 0 | None | -114 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL316495 | 107158 | 0 | None | -114 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
4011 | 82379 | 49 | None | -28 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL21731 | 82379 | 49 | None | -28 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
33630 | 178933 | 99 | None | -9 | 28 | Human | 6.4 | pKi | = | 6.4 | 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 | -9 | 28 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
73213196 | 104433 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
CHEMBL3104093 | 104433 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
73213196 | 104433 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104093 | 104433 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
73213196 | 104433 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104093 | 104433 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
57401706 | 70142 | 0 | None | -7 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 6 | 0 | 4 | 3.5 | Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
CHEMBL1940419 | 70142 | 0 | None | -7 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 6 | 0 | 4 | 3.5 | Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
463 | 1393 | 22 | None | -48 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
6918097 | 1393 | 22 | None | -48 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
837 | 1393 | 22 | None | -48 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
CHEMBL2051956 | 1393 | 22 | None | -48 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
DB14068 | 1393 | 22 | None | -48 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
6918276 | 15579 | 7 | None | -47 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
CHEMBL1221512 | 15579 | 7 | None | -47 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
44269089 | 96976 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL266613 | 96976 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
9809007 | 172540 | 8 | None | -724 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
CHEMBL448620 | 172540 | 8 | None | -724 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
191 | 402 | 98 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
201 | 402 | 98 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
2170 | 402 | 98 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
CHEMBL1113 | 402 | 98 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
DB00543 | 402 | 98 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
60838 | 183850 | 99 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
CHEMBL481 | 183850 | 99 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
44288847 | 165285 | 0 | None | -3311 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 535 | 7 | 2 | 5 | 3.9 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL42335 | 165285 | 0 | None | -3311 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 535 | 7 | 2 | 5 | 3.9 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
10769331 | 111506 | 0 | None | -91 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | ||
CHEMBL327931 | 111506 | 0 | None | -91 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | ||
135453290 | 133581 | 33 | None | -1548 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
CHEMBL371300 | 133581 | 33 | None | -1548 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
136680384 | 207632 | 0 | None | -104 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
44328799 | 207632 | 0 | None | -104 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL95290 | 207632 | 0 | None | -104 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
71461344 | 83777 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 266 | 2 | 1 | 3 | 1.3 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccnc1 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2205833 | 83777 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 266 | 2 | 1 | 3 | 1.3 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccnc1 | 10.1016/j.bmc.2013.07.045 | ||
73347827 | 92515 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432052 | 92515 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
1443 | 2015 | 34 | None | -11 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
33625 | 2015 | 34 | None | -11 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
501 | 2015 | 34 | None | -11 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
CHEMBL279516 | 2015 | 34 | None | -11 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
DB08950 | 2015 | 34 | None | -11 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
10474335 | 194669 | 23 | None | -16 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
CHEMBL53325 | 194669 | 23 | None | -16 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
10626982 | 111468 | 0 | None | -8 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL327775 | 111468 | 0 | None | -8 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
9947861 | 204139 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70634 | 204139 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44269013 | 30311 | 1 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL13917 | 30311 | 1 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
57345625 | 71150 | 0 | None | -16 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956191 | 71150 | 0 | None | -16 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
45487962 | 197462 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL569933 | 197462 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
44312198 | 204566 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 292 | 1 | 1 | 5 | 2.2 | Brc1c(NC2=NCCO2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL73164 | 204566 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 292 | 1 | 1 | 5 | 2.2 | Brc1c(NC2=NCCO2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
44579185 | 181790 | 1 | None | 7 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL477816 | 181790 | 1 | None | 7 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
10362866 | 82270 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217203 | 82270 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
10070896 | 83167 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL218457 | 83167 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
10362866 | 82270 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
CHEMBL217203 | 82270 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
10070896 | 83167 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
CHEMBL218457 | 83167 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
441975 | 16419 | 56 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
CHEMBL123325 | 16419 | 56 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
124 | 2960 | 47 | None | -60 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
2032 | 2960 | 47 | None | -60 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
4636 | 2960 | 47 | None | -60 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL762 | 2960 | 47 | None | -60 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
DB00935 | 2960 | 47 | None | -60 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 8.3 | pKi | = | 8.3 | 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 | -2 | 50 | Human | 8.3 | pKi | = | 8.3 | 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 | -2 | 50 | Human | 8.3 | pKi | = | 8.3 | 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 | -2 | 50 | Human | 8.3 | pKi | = | 8.3 | 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 | -2 | 50 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
44402531 | 69583 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 468 | 5 | 4 | 6 | 0.9 | COC(=O)CNC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL193458 | 69583 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 468 | 5 | 4 | 6 | 0.9 | COC(=O)CNC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
44325075 | 111738 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 465 | 8 | 0 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL328735 | 111738 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 465 | 8 | 0 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
10473701 | 83209 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL218679 | 83209 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
10473701 | 83209 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1021/jm060262x | ||
CHEMBL218679 | 83209 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1021/jm060262x | ||
134551 | 357 | 27 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | 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 | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | 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 | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | 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 | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
49781005 | 17182 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256503 | 17182 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
10251036 | 81856 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
CHEMBL216464 | 81856 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
10251036 | 81856 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL216464 | 81856 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
10475736 | 165839 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL424917 | 165839 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
10475736 | 165839 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
CHEMBL424917 | 165839 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
657255 | 199061 | 34 | None | -8 | 15 | Human | 6.3 | pKi | = | 6.3 | 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 | -8 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
16090599 | 81516 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL216072 | 81516 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
50878551 | 90716 | 61 | None | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | 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 | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
45487958 | 198368 | 0 | None | -14 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL576819 | 198368 | 0 | None | -14 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
7059292 | 76271 | 7 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 1 | 1 | 2 | 2.9 | Clc1ccccc1NC1=NCCC1 | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL2058633 | 76271 | 7 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 1 | 1 | 2 | 2.9 | Clc1ccccc1NC1=NCCC1 | 10.1016/j.bmc.2012.06.008 | ||
73346332 | 92506 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 2.6 | CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432041 | 92506 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 2.6 | CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
50878551 | 90716 | 61 | None | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | 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 | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
10198135 | 205102 | 3 | None | -51 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 203 | 3 | 2 | 3 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1 | 10.1021/jm9605142 | ||
CHEMBL77913 | 205102 | 3 | None | -51 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 203 | 3 | 2 | 3 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1 | 10.1021/jm9605142 | ||
44329027 | 4137 | 0 | None | -26 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL100045 | 4137 | 0 | None | -26 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
10177445 | 166018 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL425622 | 166018 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1016/j.ejmech.2010.12.026 | ||
10177445 | 166018 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1021/jm060262x | ||
CHEMBL425622 | 166018 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1021/jm060262x | ||
44292381 | 101367 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.7 | c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL297228 | 101367 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.7 | c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
46743607 | 121686 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588905 | 121686 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | ||
71450550 | 83778 | 0 | None | -1 | 16 | Human | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
8032110 | 121684 | 14 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 198 | 3 | 1 | 2 | 3.0 | Cc1ccccc1NCc1ccncc1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588903 | 121684 | 14 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 198 | 3 | 1 | 2 | 3.0 | Cc1ccccc1NCc1ccncc1 | 10.1016/j.bmc.2015.01.013 | ||
16757182 | 153227 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL397753 | 153227 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
16757182 | 153227 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL397753 | 153227 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
2726 | 916 | 68 | None | -31 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 916 | 68 | None | -31 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 916 | 68 | None | -31 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 916 | 68 | None | -31 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 916 | 68 | None | -31 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
2600 | 3750 | 74 | None | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | 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 | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | 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 | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | 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 | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | 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 | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
2765 | 940 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
515 | 940 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
CHEMBL13852 | 940 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
DB09202 | 940 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
2765 | 940 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
515 | 940 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
CHEMBL13852 | 940 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
DB09202 | 940 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
49783209 | 17577 | 0 | None | -977 | 27 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
CHEMBL1258223 | 17577 | 0 | None | -977 | 27 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
71459604 | 83764 | 0 | None | 1 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205811 | 83764 | 0 | None | 1 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
2803 | 952 | 58 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
516 | 952 | 58 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
704 | 952 | 58 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL134 | 952 | 58 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
DB00575 | 952 | 58 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
237 | 204842 | 48 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL546257 | 204842 | 48 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL554190 | 204842 | 48 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL7568 | 204842 | 48 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
101333429 | 117050 | 0 | None | -1412 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | ||
CHEMBL3392247 | 117050 | 0 | None | -1412 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | ||
11564613 | 19381 | 108 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2cccc(N)c2)CC1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL129399 | 19381 | 108 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2cccc(N)c2)CC1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL1200633 | 208577 | 3 | None | -1 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | ||||
1201549 | 594 | 24 | None | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | 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 | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | 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 | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | 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 | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | 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 | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | 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 | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
10531766 | 206974 | 0 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
CHEMBL91415 | 206974 | 0 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
12699315 | 76269 | 0 | None | -4 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 243 | 1 | 2 | 3 | 2.8 | CC1CNC(Nc2c(Cl)cccc2Cl)=N1 | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL2058631 | 76269 | 0 | None | -4 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 243 | 1 | 2 | 3 | 2.8 | CC1CNC(Nc2c(Cl)cccc2Cl)=N1 | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL4513786 | 213944 | 7 | None | -1047 | 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 | -1047 | 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 | ||||
124 | 2960 | 47 | None | -60 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
2032 | 2960 | 47 | None | -60 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
4636 | 2960 | 47 | None | -60 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
CHEMBL762 | 2960 | 47 | None | -60 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
DB00935 | 2960 | 47 | None | -60 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
3561 | 19045 | 39 | None | -2 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
CHEMBL1289 | 19045 | 39 | None | -2 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
11448533 | 84662 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 267 | 4 | 0 | 3 | 3.6 | CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 | 10.1021/jm0408215 | ||
CHEMBL222591 | 84662 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 267 | 4 | 0 | 3 | 3.6 | CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 | 10.1021/jm0408215 | ||
11473729 | 84663 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 4 | 0 | 2 | 4.4 | CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 | 10.1021/jm0408215 | ||
CHEMBL222593 | 84663 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 4 | 0 | 2 | 4.4 | CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 | 10.1021/jm0408215 | ||
44401164 | 69787 | 0 | None | -309 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL193639 | 69787 | 0 | None | -309 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
49783419 | 17717 | 0 | None | -1778 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
CHEMBL1258671 | 17717 | 0 | None | -1778 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
24771824 | 57313 | 57 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 5.4 | O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 | 10.6019/CHEMBL5212743 | ||
CHEMBL1651534 | 57313 | 57 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 5.4 | O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 | 10.6019/CHEMBL5212743 | ||
CHEMBL4780458 | 214025 | 0 | None | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | O=C(Nc1cccnn1)N1CC(C/C=C/c2cncc(Oc3ccc(C(F)(F)F)cn3)n2)C1 | 10.6019/CHEMBL5212743 | ||||
44324765 | 111541 | 0 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL328114 | 111541 | 0 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
9846548 | 207302 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL93489 | 207302 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
10474679 | 97148 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL268217 | 97148 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
10474679 | 97148 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
CHEMBL268217 | 97148 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
6761 | 67770 | 19 | None | -3 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
CHEMBL1909072 | 67770 | 19 | None | -3 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
16090596 | 82262 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL217177 | 82262 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
16090596 | 82262 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217177 | 82262 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
44568347 | 191627 | 0 | None | -28 | 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 | -28 | 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 | ||
118717248 | 115098 | 0 | None | -18 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1ccc2cnn(N=C3NCCN3)c2c1 | 10.1016/j.ejmech.2014.09.083 | ||
CHEMBL3343699 | 115098 | 0 | None | -18 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1ccc2cnn(N=C3NCCN3)c2c1 | 10.1016/j.ejmech.2014.09.083 | ||
11098175 | 204147 | 0 | None | -5 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL70691 | 204147 | 0 | None | -5 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
11034737 | 204505 | 0 | None | -3 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72724 | 204505 | 0 | None | -3 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
57345627 | 71153 | 0 | None | -8 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956194 | 71153 | 0 | None | -8 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
5353853 | 17954 | 47 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
9556529 | 17954 | 47 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1262 | 17954 | 47 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
441383 | 20301 | 57 | None | 2 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
CHEMBL1306 | 20301 | 57 | None | 2 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
2337 | 3232 | 77 | None | -10 | 63 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
50 | 3232 | 77 | None | -10 | 63 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
5002 | 3232 | 77 | None | -10 | 63 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
CHEMBL716 | 3232 | 77 | None | -10 | 63 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
DB01224 | 3232 | 77 | None | -10 | 63 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
57401787 | 71224 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
CHEMBL1956906 | 71224 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
56645363 | 121464 | 12 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | ||
1960 | 2838 | 67 | None | -20 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
439260 | 2838 | 67 | None | -20 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
505 | 2838 | 67 | None | -20 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
CHEMBL1437 | 2838 | 67 | None | -20 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
DB00368 | 2838 | 67 | None | -20 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
49836303 | 18540 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276220 | 18540 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
49836303 | 18540 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276220 | 18540 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
1265 | 939 | 60 | None | -112 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
6422124 | 939 | 60 | None | -112 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
CHEMBL14638 | 939 | 60 | None | -112 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
10508016 | 207133 | 0 | None | -17 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | ||
CHEMBL92322 | 207133 | 0 | None | -17 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | ||
72947314 | 92461 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | ||
CHEMBL2431281 | 92461 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | ||
127036932 | 137323 | 0 | None | -20 | 22 | Human | 6.2 | pKi | = | 6.2 | 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 | -20 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
57395732 | 71162 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956203 | 71162 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
2406 | 100376 | 89 | None | -11 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
CHEMBL290106 | 100376 | 89 | None | -11 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
122295 | 9836 | 7 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00018a001 | ||
CHEMBL114166 | 9836 | 7 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00018a001 | ||
122295 | 9836 | 7 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | ||
CHEMBL114166 | 9836 | 7 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | ||
44568614 | 187599 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.8 | c1ccc(OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
CHEMBL494885 | 187599 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.8 | c1ccc(OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
11265631 | 136384 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL373535 | 136384 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
11265631 | 136384 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL373535 | 136384 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
24882007 | 12441 | 1 | None | -12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.ejmech.2014.09.083 | ||
CHEMBL1186220 | 12441 | 1 | None | -12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.ejmech.2014.09.083 | ||
15675860 | 204406 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72147 | 204406 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
44312036 | 204542 | 1 | None | 5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72995 | 204542 | 1 | None | 5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
434526 | 77539 | 28 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL2087646 | 77539 | 28 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | ||
44421258 | 84717 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL1204386 | 84717 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
CHEMBL222933 | 84717 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
1960 | 2838 | 67 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
439260 | 2838 | 67 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
505 | 2838 | 67 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
CHEMBL1437 | 2838 | 67 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
DB00368 | 2838 | 67 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
68617 | 205504 | 62 | None | -9 | 26 | Human | 6.2 | pKi | = | 6.2 | 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 | -9 | 26 | Human | 6.2 | pKi | = | 6.2 | 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 | -9 | 26 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
CHEMBL4777443 | 214023 | 0 | None | -31 | 14 | Human | 6.2 | pKi | = | 6.2 | 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 | ||||
44288877 | 168575 | 0 | None | -933 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 549 | 7 | 1 | 5 | 4.3 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL43594 | 168575 | 0 | None | -933 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 549 | 7 | 1 | 5 | 4.3 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL4516843 | 213947 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | NS(=O)(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CC2)ccc1Oc1cccc(Cl)c1 | 10.6019/CHEMBL5212743 | ||||
49781004 | 17181 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256502 | 17181 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
10848826 | 188856 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL50719 | 188856 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
57345629 | 71156 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1956197 | 71156 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
57345629 | 71156 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956197 | 71156 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
24906197 | 187642 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL495097 | 187642 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
44401042 | 124803 | 0 | None | -181 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL364270 | 124803 | 0 | None | -181 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL179334 | 63273 | 0 | None | -3715 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
36381 | 12910 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL1189234 | 12910 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | ||
36381 | 12910 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL1189234 | 12910 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | ||
73355415 | 92504 | 0 | None | -3 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432039 | 92504 | 0 | None | -3 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
9839050 | 112352 | 0 | None | -144 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 293 | 2 | 0 | 2 | 3.8 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL329566 | 112352 | 0 | None | -144 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 293 | 2 | 0 | 2 | 3.8 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1 | 10.1021/jm049632c | ||
1593 | 2325 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
30668 | 2325 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
9868 | 2325 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL17860 | 2325 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
DB04948 | 2325 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
9923679 | 81733 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1021/jm060262x | ||
CHEMBL216399 | 81733 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1021/jm060262x | ||
9923679 | 81733 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL216399 | 81733 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1016/j.ejmech.2010.12.026 | ||
11058166 | 204682 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL74114 | 204682 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
24906241 | 192793 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
CHEMBL522151 | 192793 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
71457691 | 83770 | 0 | None | -2 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205823 | 83770 | 0 | None | -2 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
10045088 | 80559 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL214996 | 80559 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | ||
10045088 | 80559 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
CHEMBL214996 | 80559 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
16090623 | 82425 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217567 | 82425 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
16090623 | 82425 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
CHEMBL217567 | 82425 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
129211 | 3722 | 78 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
2562 | 3722 | 78 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
488 | 3722 | 78 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
CHEMBL836 | 3722 | 78 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
DB00706 | 3722 | 78 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
49836301 | 18535 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276140 | 18535 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
44269006 | 32323 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL14107 | 32323 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
49836301 | 18535 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276140 | 18535 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
49836301 | 18535 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL1276140 | 18535 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
11140033 | 20651 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL130884 | 20651 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
11199593 | 137174 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 282 | 4 | 1 | 3 | 3.8 | CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL374954 | 137174 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 282 | 4 | 1 | 3 | 3.8 | CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
5318 | 15544 | 49 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1200348 | 15544 | 49 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1221 | 15544 | 49 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
44424855 | 85425 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL226636 | 85425 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
13178306 | 121683 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588902 | 121683 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | ||
11360447 | 84972 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
CHEMBL223829 | 84972 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
10651080 | 105915 | 0 | None | -83 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL312871 | 105915 | 0 | None | -83 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
46743614 | 121687 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 317 | 4 | 1 | 3 | 2.7 | CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588906 | 121687 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 317 | 4 | 1 | 3 | 2.7 | CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1 | 10.1016/j.bmc.2015.01.013 | ||
44401164 | 69787 | 0 | None | -309 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL193639 | 69787 | 0 | None | -309 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL508338 | 188942 | 0 | None | -25 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | None | nan | ||||
490 | 191 | 8 | None | -724 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
9890547 | 191 | 8 | None | -724 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL268758 | 191 | 8 | None | -724 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
57395731 | 71161 | 0 | None | -7 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956202 | 71161 | 0 | None | -7 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
57403508 | 71223 | 0 | None | -2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COC(C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
CHEMBL1956905 | 71223 | 0 | None | -2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COC(C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
44401105 | 69547 | 0 | None | -83 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL193435 | 69547 | 0 | None | -83 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1021/jm049632c | ||
57399145 | 71155 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956196 | 71155 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
31101 | 726 | 40 | None | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | 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 | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | 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 | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | 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 | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | 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 | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
16090624 | 82372 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
CHEMBL217278 | 82372 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
16090624 | 82372 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217278 | 82372 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
1836 | 2574 | 59 | None | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | ||
16090634 | 82265 | 0 | None | 4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 296 | 3 | 1 | 4 | 3.2 | Cc1cncc(C)c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217180 | 82265 | 0 | None | 4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 296 | 3 | 1 | 4 | 3.2 | Cc1cncc(C)c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
135398745 | 2893 | 112 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
47 | 2893 | 112 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
CHEMBL715 | 2893 | 112 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
DB00334 | 2893 | 112 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
25053351 | 172981 | 0 | None | -371 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 5.0 | CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C | 10.1021/jm8003625 | ||
CHEMBL451821 | 172981 | 0 | None | -371 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 5.0 | CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C | 10.1021/jm8003625 | ||
23622576 | 172748 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL451229 | 172748 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
73213195 | 104432 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104092 | 104432 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
16090599 | 81516 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL216072 | 81516 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1021/jm060262x | ||
10579368 | 105977 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL313251 | 105977 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
73213195 | 104432 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104092 | 104432 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
3584 | 3748 | 64 | None | -50 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
5401 | 3748 | 64 | None | -50 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
7302 | 3748 | 64 | None | -50 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
CHEMBL611 | 3748 | 64 | None | -50 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
DB01162 | 3748 | 64 | None | -50 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
44401106 | 124301 | 0 | None | -120 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL363581 | 124301 | 0 | None | -120 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
44549156 | 18538 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL1276218 | 18538 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
45487956 | 198344 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
CHEMBL576623 | 198344 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
44549156 | 18538 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL1276218 | 18538 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
44292385 | 101094 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
CHEMBL295186 | 101094 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
11080 | 29054 | 79 | None | -3 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
CHEMBL1381098 | 29054 | 79 | None | -3 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
72947315 | 92460 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | ||
CHEMBL2431280 | 92460 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | ||
127026052 | 137528 | 0 | None | -47 | 19 | Human | 6.1 | pKi | = | 6.1 | 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 | -47 | 19 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
44456400 | 12802 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL1188501 | 12802 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL2436555 | 12802 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL536539 | 12802 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
11750482 | 147396 | 0 | None | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL392991 | 147396 | 0 | None | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
44402579 | 132729 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 3 | 3 | 5 | 1.8 | COC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL370005 | 132729 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 3 | 3 | 5 | 1.8 | COC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
10318507 | 58923 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL1689423 | 58923 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
16090595 | 141376 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL383978 | 141376 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
10318507 | 58923 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL1689423 | 58923 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
16090595 | 141376 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
CHEMBL383978 | 141376 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
136019934 | 144505 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
CHEMBL390718 | 144505 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
2142 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
4920903 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
502 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
5775 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
CHEMBL597 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
DB00692 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
16090622 | 82269 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217202 | 82269 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
16090628 | 141762 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL386169 | 141762 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
16090622 | 82269 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1021/jm060262x | ||
CHEMBL217202 | 82269 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1021/jm060262x | ||
16090628 | 141762 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1021/jm060262x | ||
CHEMBL386169 | 141762 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1021/jm060262x | ||
44402477 | 133724 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 6 | 6 | 6 | 4.6 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 | 10.1016/j.bmcl.2005.03.116 | ||
CHEMBL371516 | 133724 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 6 | 6 | 6 | 4.6 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 | 10.1016/j.bmcl.2005.03.116 | ||
180 | 400 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
200 | 400 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2160 | 400 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
CHEMBL629 | 400 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
DB00321 | 400 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
9837551 | 101597 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 232 | 1 | 3 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCO2 | 10.1021/jm960359r | ||
CHEMBL298936 | 101597 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 232 | 1 | 3 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCO2 | 10.1021/jm960359r | ||
16090601 | 82363 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217254 | 82363 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
10065083 | 32073 | 1 | None | -12 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 6 | 0 | 5 | 2.4 | O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2011.12.019 | ||
CHEMBL140872 | 32073 | 1 | None | -12 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 6 | 0 | 5 | 2.4 | O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2011.12.019 | ||
2142 | 3074 | 58 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
4920903 | 3074 | 58 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
502 | 3074 | 58 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
5775 | 3074 | 58 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
CHEMBL597 | 3074 | 58 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
DB00692 | 3074 | 58 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
9828476 | 206901 | 0 | None | -354 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL91022 | 206901 | 0 | None | -354 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
5280953 | 97333 | 109 | None | 1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 212 | 1 | 1 | 2 | 3.0 | COc1ccc2c(c1)[nH]c1c(C)nccc12 | 10.1016/j.bmcl.2003.09.027 | ||
CHEMBL269538 | 97333 | 109 | None | 1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 212 | 1 | 1 | 2 | 3.0 | COc1ccc2c(c1)[nH]c1c(C)nccc12 | 10.1016/j.bmcl.2003.09.027 | ||
10508132 | 106990 | 0 | None | -13 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL315392 | 106990 | 0 | None | -13 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | ||
491 | 192 | 9 | None | -1000 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
9891167 | 192 | 9 | None | -1000 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13856 | 192 | 9 | None | -1000 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
16090627 | 81538 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1021/jm060262x | ||
CHEMBL216197 | 81538 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1021/jm060262x | ||
135398745 | 2893 | 112 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
47 | 2893 | 112 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
CHEMBL715 | 2893 | 112 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
DB00334 | 2893 | 112 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
16090627 | 81538 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL216197 | 81538 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
2435 | 719 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
395 | 719 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
520 | 719 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
5386 | 719 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL844 | 719 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
DB00484 | 719 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
1242 | 3586 | 27 | None | -4 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
935 | 3586 | 27 | None | -4 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL286080 | 3586 | 27 | None | -4 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
16090594 | 82096 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL216674 | 82096 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
24841480 | 183875 | 0 | None | -416 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL481153 | 183875 | 0 | None | -416 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
57402717 | 71158 | 2 | None | -14 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956199 | 71158 | 2 | None | -14 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
24906201 | 187329 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
CHEMBL493272 | 187329 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
4657799 | 121688 | 3 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 254 | 5 | 1 | 2 | 2.7 | NCCCN(C(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
CHEMBL3588907 | 121688 | 3 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 254 | 5 | 1 | 2 | 2.7 | NCCCN(C(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
16090594 | 82096 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
CHEMBL216674 | 82096 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
44456400 | 12802 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL1188501 | 12802 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL2436555 | 12802 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
CHEMBL536539 | 12802 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
24906198 | 187640 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
CHEMBL495095 | 187640 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
44314200 | 102925 | 0 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
CHEMBL306377 | 102925 | 0 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
24906198 | 187640 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL495095 | 187640 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
45487145 | 197636 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
CHEMBL570973 | 197636 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
24906198 | 187640 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL495095 | 187640 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
24906198 | 187640 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
CHEMBL495095 | 187640 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
44292386 | 101455 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
CHEMBL297827 | 101455 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
57339144 | 92209 | 78 | None | -11 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.6019/CHEMBL5212743 | ||
CHEMBL2426364 | 92209 | 78 | None | -11 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.6019/CHEMBL5212743 | ||
199798 | 74677 | 9 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 2 | 0 | 1 | 2.7 | C1CCC(CN2CCCC2)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
CHEMBL2030634 | 74677 | 9 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 2 | 0 | 1 | 2.7 | C1CCC(CN2CCCC2)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
73349361 | 92519 | 0 | None | 1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432058 | 92519 | 0 | None | 1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
16090625 | 82401 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
CHEMBL217452 | 82401 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
16090625 | 82401 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217452 | 82401 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
10674896 | 206621 | 0 | None | -478 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | ||
CHEMBL89243 | 206621 | 0 | None | -478 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | ||
57402718 | 71160 | 2 | None | -8 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956201 | 71160 | 2 | None | -8 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
3584 | 3748 | 64 | None | -50 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
5401 | 3748 | 64 | None | -50 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
7302 | 3748 | 64 | None | -50 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
CHEMBL611 | 3748 | 64 | None | -50 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
DB01162 | 3748 | 64 | None | -50 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
9795515 | 204797 | 0 | None | -17 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 273 | 3 | 2 | 3 | 4.1 | COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C | 10.1021/jm9605142 | ||
CHEMBL75257 | 204797 | 0 | None | -17 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 273 | 3 | 2 | 3 | 4.1 | COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C | 10.1021/jm9605142 | ||
10632290 | 204723 | 5 | None | -2 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 211 | 2 | 2 | 4 | 2.1 | c1c[nH]c(Nc2ccc3nccnc3c2)n1 | 10.1021/jm9605142 | ||
CHEMBL74449 | 204723 | 5 | None | -2 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 211 | 2 | 2 | 4 | 2.1 | c1c[nH]c(Nc2ccc3nccnc3c2)n1 | 10.1021/jm9605142 | ||
44328920 | 108614 | 0 | None | -77 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL320736 | 108614 | 0 | None | -77 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44324900 | 206875 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 423 | 6 | 0 | 7 | 2.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL90843 | 206875 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 423 | 6 | 0 | 7 | 2.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44325028 | 206948 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL91297 | 206948 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44325079 | 207162 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 7 | 0 | 7 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL92496 | 207162 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 7 | 0 | 7 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44324860 | 207475 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL94435 | 207475 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
49781008 | 17218 | 0 | None | -7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 254 | 3 | 1 | 2 | 3.3 | CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
CHEMBL1256608 | 17218 | 0 | None | -7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 254 | 3 | 1 | 2 | 3.3 | CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
24839550 | 137290 | 14 | None | -14 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | -14 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | ||
16090601 | 82363 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1021/jm060262x | ||
CHEMBL217254 | 82363 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1021/jm060262x | ||
44579303 | 186748 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
CHEMBL488974 | 186748 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
16090602 | 82419 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1021/jm060262x | ||
CHEMBL217542 | 82419 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1021/jm060262x | ||
16090602 | 82419 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
CHEMBL217542 | 82419 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
2803 | 952 | 58 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
516 | 952 | 58 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
704 | 952 | 58 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
CHEMBL134 | 952 | 58 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
DB00575 | 952 | 58 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
44438161 | 147116 | 0 | None | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL392771 | 147116 | 0 | None | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
44438165 | 166760 | 0 | None | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL428407 | 166760 | 0 | None | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
44330571 | 163975 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
CHEMBL420830 | 163975 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
44330571 | 163975 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL420830 | 163975 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44324737 | 207215 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
CHEMBL92860 | 207215 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
44438148 | 93461 | 0 | None | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
CHEMBL246229 | 93461 | 0 | None | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
11465618 | 102371 | 23 | None | -36 | 19 | Human | 8.0 | pKi | = | 8.0 | 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 | -36 | 19 | Human | 8.0 | pKi | = | 8.0 | 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 | -36 | 19 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
9809007 | 172540 | 8 | None | -724 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL448620 | 172540 | 8 | None | -724 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
24906159 | 187381 | 12 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
CHEMBL493675 | 187381 | 12 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
11186523 | 127485 | 0 | None | -66 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
CHEMBL366164 | 127485 | 0 | None | -66 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
1343 | 1876 | 62 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
3519 | 1876 | 62 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
522 | 1876 | 62 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
CHEMBL862 | 1876 | 62 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
DB01018 | 1876 | 62 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
4209 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
4893 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
503 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
5385 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
CHEMBL2 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
DB00457 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
9906978 | 42681 | 2 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
CHEMBL150161 | 42681 | 2 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
4209 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
4893 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
503 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
5385 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
CHEMBL2 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
DB00457 | 3141 | 75 | None | -181 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
1547484 | 937 | 74 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
654 | 937 | 74 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
9072 | 937 | 74 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL43064 | 937 | 74 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB00568 | 937 | 74 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL4520788 | 213952 | 10 | None | -4 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | ||||
5280805 | 85376 | 81 | None | -29 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1021/np1000329 | ||
CHEMBL226335 | 85376 | 81 | None | -29 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1021/np1000329 | ||
4407909 | 192842 | 1 | None | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | 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 | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | 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 | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
57395663 | 71152 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
CHEMBL1956193 | 71152 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
11043720 | 92143 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
CHEMBL242265 | 92143 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
11043720 | 92143 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
CHEMBL242265 | 92143 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
49783415 | 17646 | 0 | None | -1348 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
CHEMBL1258452 | 17646 | 0 | None | -1348 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
73355418 | 92517 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432056 | 92517 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
3952 | 1875 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5353646 | 1875 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5443 | 1875 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
5702063 | 1875 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
CHEMBL1331786 | 1875 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
CHEMBL420 | 1875 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
108094 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
108094 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
108094 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
526 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
526 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
526 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
528 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
528 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
528 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
CHEMBL10332 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
CHEMBL10332 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
CHEMBL10332 | 3397 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
136 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 1353247 | ||
136 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 35224877 | ||
136 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 8819505 | ||
223 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 1353247 | ||
223 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 35224877 | ||
223 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 8819505 | ||
643606 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 1353247 | ||
643606 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 35224877 | ||
643606 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 8819505 | ||
CHEMBL10347 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 1353247 | ||
CHEMBL10347 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 35224877 | ||
CHEMBL10347 | 3267 | 32 | None | 3 | 16 | Human | 9.5 | pKd | = | 9.5 | 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 | 8819505 | ||
None | 216002 | 0 | 3H-RAUWOLSCINE | 8 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 339 | 0 | 0 | 3 | 3.3 | CN1CCC2(CCN3CCC4=C(C3C2)OC5=CC=CC=C45)N(C1=O)C | None | ||
138107169 | 215927 | 0 | 3H-RAUWOLSCINE | -1 | 23 | Human | 10.4 | pKi | = | 10.4 | 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 | -1 | 23 | Human | 10.4 | pKi | = | 10.4 | 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-RAUWOLSCINE | -3 | 23 | North American opossum | 10.1 | pKi | = | 10.1 | 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 | -3 | 23 | North American opossum | 10.1 | pKi | = | 10.1 | 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-RAUWOLSCINE | -1 | 23 | Human | 9.9 | pKi | = | 9.9 | 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 | -1 | 23 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
5268 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
138107169 | 215927 | 0 | 3H-RAUWOLSCINE | -1 | 23 | Human | 9.9 | pKi | = | 9.9 | 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 | -1 | 23 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
None | 216003 | 0 | 3H-RAUWOLSCINE | 2 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 953 | 28 | 10 | 12 | 0.9 | CCOC1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)NC(CCCCN)C(=O)N)NC(=O)CC3(CCCCC3)S | None | ||
102 | 4096 | 48 | 3H-RAUWOLSCINE | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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-RAUWOLSCINE | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | ||
CHEMBL1196898 | 216004 | 0 | 3H-RAUWOLSCINE | -1 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 248 | 3 | 1 | 5 | 1.2 | CCOC1(COC2=CC=CC=C2O1)C3=NCCN3 | None | ||
102 | 4096 | 48 | 3H-RX821002 | -2 | 50 | Human | 9.6 | pKi | = | 9.6 | 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-RX821002 | -2 | 50 | Human | 9.6 | pKi | = | 9.6 | 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-RX821002 | -2 | 50 | Human | 9.6 | pKi | = | 9.6 | 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-RX821002 | -2 | 50 | Human | 9.6 | pKi | = | 9.6 | 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-RX821002 | -2 | 50 | Human | 9.6 | pKi | = | 9.6 | 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 | ||
5268 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
None | 215933 | 0 | 3H-RAUWOLSCINE | -4 | 20 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
102 | 4096 | 48 | 3H-RAUWOLSCINE | -2 | 50 | Human | 9.5 | pKi | = | 9.5 | 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-RAUWOLSCINE | -2 | 50 | Human | 9.5 | pKi | = | 9.5 | 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-RAUWOLSCINE | -2 | 50 | Human | 9.5 | pKi | = | 9.5 | 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-RAUWOLSCINE | -2 | 50 | Human | 9.5 | pKi | = | 9.5 | 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-RAUWOLSCINE | -2 | 50 | Human | 9.5 | pKi | = | 9.5 | 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 | ||
164512323 | 216005 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 216005 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
5268 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
102 | 4096 | 48 | 3H-RAUWOLSCINE | 2 | 50 | North American opossum | 9.4 | pKi | = | 9.4 | 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-RAUWOLSCINE | 2 | 50 | North American opossum | 9.4 | pKi | = | 9.4 | 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-RAUWOLSCINE | 2 | 50 | North American opossum | 9.4 | pKi | = | 9.4 | 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-RAUWOLSCINE | 2 | 50 | North American opossum | 9.4 | pKi | = | 9.4 | 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-RAUWOLSCINE | 2 | 50 | North American opossum | 9.4 | pKi | = | 9.4 | 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 | ||
None | 215933 | 0 | 3H-RAUWOLSCINE | -4 | 20 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
12576 | 513 | 94 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
71310 | 513 | 94 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
CHEMBL353972 | 513 | 94 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
DB11481 | 513 | 94 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
None | 215936 | 0 | 3H-RAUWOLSCINE | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 295 | 5 | 2 | 3 | 3.0 | C1CC2=CC=CC=C2C(=O)C1CNCCC3=CC=C(C=C3)O | None | ||
138107169 | 215927 | 0 | 35S-GTPGammaS | -1 | 23 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 215927 | 0 | 35S-GTPGammaS | -1 | 23 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
12575 | 1975 | 30 | 3H-RAUWOLSCINE | -8 | 17 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
54459 | 1975 | 30 | 3H-RAUWOLSCINE | -8 | 17 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
CHEMBL10316 | 1975 | 30 | 3H-RAUWOLSCINE | -8 | 17 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
None | 216006 | 0 | 3H-RAUWOLSCINE | 9 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 401 | 6 | 1 | 5 | 0.6 | CS(=O)(=O)NCCN(C1CCN2CCC3=CC=CC=C3C2C1)S(=O)(=O)C | None | ||
5268 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3629 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
5268 | 3629 | 40 | 3H-RAUWOLSCINE | -2 | 18 | North American opossum | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3629 | 40 | 3H-RAUWOLSCINE | -2 | 18 | North American opossum | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3629 | 40 | 3H-RAUWOLSCINE | -2 | 18 | North American opossum | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
None | 215933 | 0 | 3H-RAUWOLSCINE | -4 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
2601 | 3751 | 33 | 3H-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | 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-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | 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-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | 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-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | 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-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | 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 | ||
138107169 | 215927 | 0 | 3H-MK912 | -1 | 23 | Human | 9.1 | pKi | = | 9.1 | 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-MK912 | -1 | 23 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
108094 | 3397 | 27 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
526 | 3397 | 27 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
528 | 3397 | 27 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
CHEMBL10332 | 3397 | 27 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
44438167 | 148946 | 0 | UNDEFINED | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | None | ||
CHEMBL394218 | 148946 | 0 | UNDEFINED | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | None | ||
None | 215934 | 0 | 3H-RAUWOLSCINE | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 358 | 4 | 0 | 3 | 2.8 | CCCS(=O)(=O)N(C)C1CCN2CCC3=CC=CC=C3C2C1.Cl | None | ||
5268 | 3629 | 40 | 3H-MK912 | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
53 | 3629 | 40 | 3H-MK912 | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
CHEMBL300555 | 3629 | 40 | 3H-MK912 | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
164512323 | 216005 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 216005 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
2389 | 3306 | 118 | 3H-CLONIDINE | -10 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3306 | 118 | 3H-CLONIDINE | -10 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3306 | 118 | 3H-CLONIDINE | -10 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3306 | 118 | 3H-CLONIDINE | -10 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3306 | 118 | 3H-CLONIDINE | -10 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
6040 | 216007 | 0 | 3H-RAUWOLSCINE | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 233 | 2 | 0 | 3 | 2.3 | C1CCN(CC1)CC2COC3=CC=CC=C3O2 | None | ||
41 | 1646 | 0 | 3H-RX821002 | -1 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
72036 | 1646 | 0 | 3H-RX821002 | -1 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
CHEMBL1765294 | 1646 | 0 | 3H-RX821002 | -1 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
None | 215933 | 0 | 3H-RAUWOLSCINE | -10 | 20 | North American opossum | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
164512323 | 216005 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 216005 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
219050 | 3348 | 25 | 3H-RX821002 | -10 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
52 | 3348 | 25 | 3H-RX821002 | -10 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
CHEMBL431367 | 3348 | 25 | 3H-RX821002 | -10 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
108094 | 3397 | 27 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
526 | 3397 | 27 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
528 | 3397 | 27 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
CHEMBL10332 | 3397 | 27 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
None | 216680 | 0 | UNDEFINED | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 390 | 1 | 2 | 4 | 3.1 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl | None | ||
102 | 4096 | 48 | 3H-RX821002 | -26 | 50 | Rat | 8.0 | pKi | = | 8.0 | 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-RX821002 | -26 | 50 | Rat | 8.0 | pKi | = | 8.0 | 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-RX821002 | -26 | 50 | Rat | 8.0 | pKi | = | 8.0 | 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-RX821002 | -26 | 50 | Rat | 8.0 | pKi | = | 8.0 | 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-RX821002 | -26 | 50 | Rat | 8.0 | pKi | = | 8.0 | 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 | ||
4209 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
165193 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
2303 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
4946 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
564 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
62882 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
63 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
66366 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
91536 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
CHEMBL27 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
CHEMBL452861 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
DB00571 | 3165 | 68 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
119570 | 3137 | 96 | 3H-RX821002 | -89 | 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-RX821002 | -89 | 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-RX821002 | -89 | 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-RX821002 | -89 | 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-RX821002 | -89 | 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-RAUWOLSCINE | -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-RAUWOLSCINE | -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-RAUWOLSCINE | -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-RAUWOLSCINE | -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-RAUWOLSCINE | -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-RX821002 | -2089 | 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-RX821002 | -2089 | 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-RX821002 | -2089 | 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 | ||
523 | 4075 | 93 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
5707 | 4075 | 93 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
CHEMBL297362 | 4075 | 93 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
DB11477 | 4075 | 93 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
2662 | 11352 | 131 | 3H-CLONIDINE | -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-CLONIDINE | -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 | ||
5090 | 15529 | 106 | 3H-CLONIDINE | -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-CLONIDINE | -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 | ||
156391 | 46770 | 99 | 3H-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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 | ||
44603087 | 67763 | 0 | UNDEFINED | -2951 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 527 | 5 | 1 | 6 | 4.2 | COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1 | None | ||
CHEMBL1079079 | 67763 | 0 | UNDEFINED | -2951 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 527 | 5 | 1 | 6 | 4.2 | COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1 | None | ||
CHEMBL1908985 | 67763 | 0 | UNDEFINED | -2951 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 527 | 5 | 1 | 6 | 4.2 | COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1 | None | ||
10624 | 70271 | 19 | 125I-Clonidine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
138543650 | 70271 | 19 | 125I-Clonidine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
CHEMBL194378 | 70271 | 19 | 125I-Clonidine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
2244 | 94204 | 100 | 3H-CLONIDINE | -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-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
3663 | 99939 | 83 | 3H-CLONIDINE | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
CHEMBL286494 | 99939 | 83 | 3H-CLONIDINE | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
446220 | 133496 | 14 | 3H-CLONIDINE | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
CHEMBL370805 | 133496 | 14 | 3H-CLONIDINE | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
5280343 | 188251 | 124 | 3H-CLONIDINE | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
CHEMBL1520590 | 188251 | 124 | 3H-CLONIDINE | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
CHEMBL50 | 188251 | 124 | 3H-CLONIDINE | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
3672 | 192509 | 136 | 3H-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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 | ||
4054 | 205478 | 72 | 125I-Clonidine | -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 | 125I-Clonidine | -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 | 125I-Clonidine | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
119607 | 206180 | 113 | 3H-CLONIDINE | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | ||
CHEMBL865 | 206180 | 113 | 3H-CLONIDINE | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | ||
11954224 | 215928 | 0 | 3H-CLONIDINE | -4168 | 60 | Human | 5.0 | pKi | = | 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 | 215968 | 0 | 3H-RAUWOLSCINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | ||
25137849 | 216153 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
71290 | 216153 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
None | 216285 | 0 | 3H-CLONIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
None | 216286 | 0 | 3H-CLONIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
None | 216287 | 0 | 3H-CLONIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
None | 216288 | 0 | 3H-CLONIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
None | 216289 | 0 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
None | 216290 | 0 | 3H-CLONIDINE | -1 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
None | 216291 | 0 | 3H-CLONIDINE | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
None | 216292 | 0 | 3H-CLONIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | ||
None | 216301 | 0 | 3H-CLONIDINE | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | ||
4978 | 216302 | 0 | 3H-CLONIDINE | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | ||
None | 216303 | 0 | 3H-CLONIDINE | -2 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
None | 216305 | 0 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | ||
None | 216316 | 0 | 3H-RX821002 | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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 | 216462 | 0 | 3H-CLONIDINE | -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 | ||
115237 | 55555 | 119 | 3H-RAUWOLSCINE | -29 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
CHEMBL1621 | 55555 | 119 | 3H-RAUWOLSCINE | -29 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
11293787 | 148189 | 0 | UNDEFINED | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | None | ||
CHEMBL393597 | 148189 | 0 | UNDEFINED | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | None | ||
1343 | 1876 | 62 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
3519 | 1876 | 62 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
522 | 1876 | 62 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
CHEMBL862 | 1876 | 62 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
DB01018 | 1876 | 62 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
1615 | 167767 | 24 | 3H-CLONIDINE | -3 | 45 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL43048 | 167767 | 24 | 3H-CLONIDINE | -3 | 45 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
2726 | 916 | 68 | 3H-RAUWOLSCINE | -67 | 73 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 916 | 68 | 3H-RAUWOLSCINE | -67 | 73 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 916 | 68 | 3H-RAUWOLSCINE | -67 | 73 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 916 | 68 | 3H-RAUWOLSCINE | -67 | 73 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 916 | 68 | 3H-RAUWOLSCINE | -67 | 73 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
1220 | 187 | 55 | 3H-RAUWOLSCINE | -93 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
31 | 187 | 55 | 3H-RAUWOLSCINE | -93 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
7 | 187 | 55 | 3H-RAUWOLSCINE | -93 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
CHEMBL56 | 187 | 55 | 3H-RAUWOLSCINE | -93 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
135409468 | 2022 | 69 | 3H-CLONIDINE | -41 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
333 | 2022 | 69 | 3H-CLONIDINE | -41 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
CHEMBL845 | 2022 | 69 | 3H-CLONIDINE | -41 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
186 | 1794 | 52 | 3H-CLONIDINE | -194 | 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-CLONIDINE | -194 | 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-CLONIDINE | -194 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
164512323 | 216005 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 216005 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
2142 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
2402 | 3345 | 62 | 3H-RX821002 | -5 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
5095 | 3345 | 62 | 3H-RX821002 | -5 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
7295 | 3345 | 62 | 3H-RX821002 | -5 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
CHEMBL589 | 3345 | 62 | 3H-RX821002 | -5 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
DB00268 | 3345 | 62 | 3H-RX821002 | -5 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
1212 | 1649 | 50 | 3H-RAUWOLSCINE | -54 | 66 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1649 | 50 | 3H-RAUWOLSCINE | -54 | 66 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1649 | 50 | 3H-RAUWOLSCINE | -54 | 66 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1649 | 50 | 3H-RAUWOLSCINE | -54 | 66 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1649 | 50 | 3H-RAUWOLSCINE | -54 | 66 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
25137849 | 216153 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
71290 | 216153 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
7153 | 97992 | 77 | 3H-CLONIDINE | -6 | 34 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97992 | 77 | 3H-CLONIDINE | -6 | 34 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
3658 | 4076 | 53 | 35S-GTPGammaS | -17 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
517 | 4076 | 53 | 35S-GTPGammaS | -17 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
5709 | 4076 | 53 | 35S-GTPGammaS | -17 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
CHEMBL312448 | 4076 | 53 | 35S-GTPGammaS | -17 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
DB06694 | 4076 | 53 | 35S-GTPGammaS | -17 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
122211 | 461 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
524 | 461 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
46780481 | 107504 | 20 | 3H-RAUWOLSCINE | -72 | 54 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107504 | 20 | 3H-RAUWOLSCINE | -72 | 54 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107504 | 20 | 3H-RAUWOLSCINE | -72 | 54 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107504 | 20 | 3H-RAUWOLSCINE | -72 | 54 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
None | 216214 | 0 | 3H-RX821002 | 47 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 457 | 7 | 1 | 3 | 4.9 | CCC(=O)NC1=C(C=C(C=C1C)C(=O)N2CCC(CC2)N(C)CCC3=CC=CC=C3)C.Cl | None | ||
2803 | 952 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 952 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 952 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 952 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 952 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
484 | 2837 | 51 | 35S-GTPGammaS | -8 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2837 | 51 | 35S-GTPGammaS | -8 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2837 | 51 | 35S-GTPGammaS | -8 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
67409 | 216008 | 0 | 3H-RAUWOLSCINE | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 235 | 2 | 0 | 1 | 3.9 | C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1 | None | ||
8966 | 216008 | 0 | 3H-RAUWOLSCINE | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 235 | 2 | 0 | 1 | 3.9 | C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1 | None | ||
None | 216009 | 0 | 3H-RAUWOLSCINE | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 200 | 3 | 1 | 1 | 2.8 | CC1=C(C(=CC=C1)C)CCC2=CN=CN2 | None | ||
4209 | 3141 | 75 | 3H-CLONIDINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3141 | 75 | 3H-CLONIDINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3141 | 75 | 3H-CLONIDINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3141 | 75 | 3H-CLONIDINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3141 | 75 | 3H-CLONIDINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3141 | 75 | 3H-CLONIDINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
185 | 3975 | 60 | 3H-CLONIDINE | -4466 | 38 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
5311271 | 3975 | 60 | 3H-CLONIDINE | -4466 | 38 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
CHEMBL74355 | 3975 | 60 | 3H-CLONIDINE | -4466 | 38 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
DB16351 | 3975 | 60 | 3H-CLONIDINE | -4466 | 38 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
4209 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3141 | 75 | 3H-RAUWOLSCINE | -181 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
68602 | 205103 | 80 | 35S-GTPGammaS | -4 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 205103 | 80 | 35S-GTPGammaS | -4 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
21830793 | 91806 | 10 | 3H-8-OH-DPAT | -102 | 46 | Bovine | 7.8 | pKi | = | 7.8 | 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 | -102 | 46 | Bovine | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
1223 | 950 | 41 | 3H-RAUWOLSCINE | -85 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
2790 | 950 | 41 | 3H-RAUWOLSCINE | -85 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
CHEMBL14690 | 950 | 41 | 3H-RAUWOLSCINE | -85 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
103 | 4122 | 61 | 3H-RAUWOLSCINE | -33 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4122 | 61 | 3H-RAUWOLSCINE | -33 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4122 | 61 | 3H-RAUWOLSCINE | -33 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4122 | 61 | 3H-RAUWOLSCINE | -33 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4122 | 61 | 3H-RAUWOLSCINE | -33 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
133621 | 1999 | 0 | 35S-GTPGammaS | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | ||
3470 | 1999 | 0 | 35S-GTPGammaS | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | ||
CHEMBL347695 | 1999 | 0 | 35S-GTPGammaS | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | ||
179 | 399 | 115 | 125I-Clonidine | -40 | 51 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
2159 | 399 | 115 | 125I-Clonidine | -40 | 51 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
963 | 399 | 115 | 125I-Clonidine | -40 | 51 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
CHEMBL243712 | 399 | 115 | 125I-Clonidine | -40 | 51 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
DB06288 | 399 | 115 | 125I-Clonidine | -40 | 51 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
162265 | 202251 | 22 | 3H-CLONIDINE | -8 | 45 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 202251 | 22 | 3H-CLONIDINE | -8 | 45 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 202251 | 22 | 3H-CLONIDINE | -8 | 45 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
213 | 3824 | 55 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3824 | 55 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3824 | 55 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3824 | 55 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3824 | 55 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
1524 | 2168 | 96 | 3H-RAUWOLSCINE | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | 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 | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | 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 | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | 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 | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | 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 | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | 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 | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3294 | 1993 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
71360 | 1993 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
87 | 1993 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
CHEMBL14376 | 1993 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
DB04946 | 1993 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
3294 | 1993 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
71360 | 1993 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
87 | 1993 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
CHEMBL14376 | 1993 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
DB04946 | 1993 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
1028 | 289 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
139148732 | 289 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
479 | 289 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
5816 | 289 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL679 | 289 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00668 | 289 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
46780481 | 107504 | 20 | 3H-CLONIDINE | -72 | 54 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107504 | 20 | 3H-CLONIDINE | -72 | 54 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107504 | 20 | 3H-CLONIDINE | -72 | 54 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107504 | 20 | 3H-CLONIDINE | -72 | 54 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
1830 | 2572 | 44 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
207 | 2572 | 44 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
23897 | 2572 | 44 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
CHEMBL460 | 2572 | 44 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
DB01618 | 2572 | 44 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
1816 | 2523 | 102 | 3H-RAUWOLSCINE | -38 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
4205 | 2523 | 102 | 3H-RAUWOLSCINE | -38 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
7241 | 2523 | 102 | 3H-RAUWOLSCINE | -38 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
CHEMBL654 | 2523 | 102 | 3H-RAUWOLSCINE | -38 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
DB00370 | 2523 | 102 | 3H-RAUWOLSCINE | -38 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
11225732 | 93628 | 0 | UNDEFINED | 16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | None | ||
CHEMBL246852 | 93628 | 0 | UNDEFINED | 16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | None | ||
3337 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
124 | 2960 | 47 | 3H-MK912 | -60 | 33 | Human | 6.7 | pKi | = | 6.7 | 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-MK912 | -60 | 33 | Human | 6.7 | pKi | = | 6.7 | 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-MK912 | -60 | 33 | Human | 6.7 | pKi | = | 6.7 | 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-MK912 | -60 | 33 | Human | 6.7 | pKi | = | 6.7 | 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-MK912 | -60 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
None | 216213 | 0 | 3H-CLONIDINE | -27542 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
12575 | 1975 | 30 | UNDEFINED | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
54459 | 1975 | 30 | UNDEFINED | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
CHEMBL10316 | 1975 | 30 | UNDEFINED | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
44438147 | 93460 | 0 | UNDEFINED | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | None | ||
CHEMBL246228 | 93460 | 0 | UNDEFINED | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | None | ||
44438152 | 93579 | 0 | UNDEFINED | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | None | ||
CHEMBL246639 | 93579 | 0 | UNDEFINED | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | None | ||
12575 | 1975 | 30 | 35S-GTPGammaS | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
54459 | 1975 | 30 | 35S-GTPGammaS | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
CHEMBL10316 | 1975 | 30 | 35S-GTPGammaS | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
135 | 2515 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
2435 | 719 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
395 | 719 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
520 | 719 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
5386 | 719 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
CHEMBL844 | 719 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
DB00484 | 719 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
3337 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
12575 | 1975 | 30 | 3H-RAUWOLSCINE | -1 | 17 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
54459 | 1975 | 30 | 3H-RAUWOLSCINE | -1 | 17 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
CHEMBL10316 | 1975 | 30 | 3H-RAUWOLSCINE | -1 | 17 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
68602 | 205103 | 80 | 3H-RX821002 | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 205103 | 80 | 3H-RX821002 | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
123981 | 16427 | 22 | 3H-RAUWOLSCINE | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | ||
CHEMBL123349 | 16427 | 22 | 3H-RAUWOLSCINE | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | ||
CHEMBL536803 | 16427 | 22 | 3H-RAUWOLSCINE | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | ||
12576 | 513 | 94 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
71310 | 513 | 94 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
CHEMBL353972 | 513 | 94 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
DB11481 | 513 | 94 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
135398737 | 955 | 93 | 3H-RAUWOLSCINE | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
16725934 | 147398 | 0 | UNDEFINED | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | None | ||
CHEMBL392992 | 147398 | 0 | UNDEFINED | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | None | ||
138107169 | 215927 | 0 | 3H-RAUWOLSCINE | -3 | 23 | North American opossum | 7.7 | pKi | = | 7.7 | 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 | -3 | 23 | North American opossum | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
2216 | 445 | 50 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
229 | 445 | 50 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
7117 | 445 | 50 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
CHEMBL647 | 445 | 50 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
DB00964 | 445 | 50 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
135398745 | 2893 | 112 | 3H-RAUWOLSCINE | -30 | 66 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2893 | 112 | 3H-RAUWOLSCINE | -30 | 66 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2893 | 112 | 3H-RAUWOLSCINE | -30 | 66 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2893 | 112 | 3H-RAUWOLSCINE | -30 | 66 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
None | 216109 | 0 | 3H-CLONIDINE | -2238 | 24 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
6917970 | 3665 | 61 | 3H-CLONIDINE | -48 | 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-CLONIDINE | -48 | 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-CLONIDINE | -48 | 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 | ||
None | 216315 | 0 | 3H-RX821002 | -29 | 19 | Human | 7.7 | pKi | = | 7.7 | 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 | ||
2695 | 3812 | 81 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
5504 | 3812 | 81 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
7310 | 3812 | 81 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
CHEMBL770 | 3812 | 81 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
DB00797 | 3812 | 81 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
2726 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
124 | 2960 | 47 | 35S-GTPGammaS | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2960 | 47 | 35S-GTPGammaS | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2960 | 47 | 35S-GTPGammaS | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2960 | 47 | 35S-GTPGammaS | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2960 | 47 | 35S-GTPGammaS | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
3337 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
65801 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
66264 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
91452 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
CHEMBL87493 | 206344 | 27 | 3H-CLONIDINE | -13 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
1353 | 1898 | 93 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1898 | 93 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1898 | 93 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1898 | 93 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1898 | 93 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
2142 | 3074 | 58 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3074 | 58 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3074 | 58 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3074 | 58 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3074 | 58 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3074 | 58 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
104911 | 215994 | 0 | 3H-CLONIDINE | -10715 | 38 | Human | 5.6 | pKi | = | 5.6 | 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 | ||
135 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
10297 | 27081 | 30 | 3H-CLONIDINE | 1 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
CHEMBL136560 | 27081 | 30 | 3H-CLONIDINE | 1 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
5524 | 216437 | 0 | 35S-GTPGammaS | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 215 | 1 | 2 | 3 | 1.9 | C1CCC2=C(C1)C=CC=C2NC3=NCCN3 | None | ||
138107169 | 215927 | 0 | 3H-RAUWOLSCINE | -1 | 23 | Human | 7.6 | pKi | = | 7.6 | 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 | -1 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
31101 | 726 | 40 | 3H-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
2337 | 3232 | 77 | 125I-Clonidine | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
2337 | 3232 | 77 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3232 | 77 | 125I-Clonidine | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3232 | 77 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3232 | 77 | 125I-Clonidine | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3232 | 77 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3232 | 77 | 125I-Clonidine | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3232 | 77 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3232 | 77 | 125I-Clonidine | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3232 | 77 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
1212 | 1649 | 50 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1649 | 50 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1649 | 50 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1649 | 50 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1649 | 50 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
135398745 | 2893 | 112 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2893 | 112 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2893 | 112 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2893 | 112 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
162265 | 202251 | 22 | 3H-CLONIDINE | -8 | 45 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 202251 | 22 | 3H-CLONIDINE | -8 | 45 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 202251 | 22 | 3H-CLONIDINE | -8 | 45 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
1212 | 1649 | 50 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1649 | 50 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1649 | 50 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1649 | 50 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1649 | 50 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
135398745 | 2893 | 112 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2893 | 112 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2893 | 112 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2893 | 112 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
2142 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
2337 | 3232 | 77 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3232 | 77 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3232 | 77 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3232 | 77 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3232 | 77 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
2181 | 3106 | 46 | 3H-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | 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-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | 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-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | 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-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | 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-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
102 | 4096 | 48 | 3H-MK912 | -2 | 50 | Human | 8.5 | pKi | = | 8.5 | 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-MK912 | -2 | 50 | Human | 8.5 | pKi | = | 8.5 | 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-MK912 | -2 | 50 | Human | 8.5 | pKi | = | 8.5 | 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-MK912 | -2 | 50 | Human | 8.5 | pKi | = | 8.5 | 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-MK912 | -2 | 50 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
None | 215933 | 0 | 3H-MK912 | -4 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
2389 | 3306 | 118 | 3H-RAUWOLSCINE | -10 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3306 | 118 | 3H-RAUWOLSCINE | -10 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3306 | 118 | 3H-RAUWOLSCINE | -10 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3306 | 118 | 3H-RAUWOLSCINE | -10 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3306 | 118 | 3H-RAUWOLSCINE | -10 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
931 | 216436 | 0 | 35S-GTPGammaS | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 128 | 0 | 0 | 0 | 2.8 | C1=CC=C2C=CC=CC2=C1 | None | ||
44438168 | 93789 | 0 | UNDEFINED | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | None | ||
CHEMBL247665 | 93789 | 0 | UNDEFINED | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | None | ||
115237 | 55555 | 119 | 3H-CLONIDINE | -29 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
CHEMBL1621 | 55555 | 119 | 3H-CLONIDINE | -29 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
135 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
122211 | 461 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
524 | 461 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
4209 | 3141 | 75 | 35S-GTPGammaS | -181 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3141 | 75 | 35S-GTPGammaS | -181 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3141 | 75 | 35S-GTPGammaS | -181 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3141 | 75 | 35S-GTPGammaS | -181 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3141 | 75 | 35S-GTPGammaS | -181 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3141 | 75 | 35S-GTPGammaS | -181 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
124 | 2960 | 47 | 3H-RAUWOLSCINE | -60 | 33 | Human | 7.5 | pKi | = | 7.5 | 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-RAUWOLSCINE | -60 | 33 | Human | 7.5 | pKi | = | 7.5 | 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-RAUWOLSCINE | -60 | 33 | Human | 7.5 | pKi | = | 7.5 | 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-RAUWOLSCINE | -60 | 33 | Human | 7.5 | pKi | = | 7.5 | 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-RAUWOLSCINE | -60 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
122211 | 461 | 0 | 3H-MK912 | -9 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
524 | 461 | 0 | 3H-MK912 | -9 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
None | 216010 | 0 | 3H-RAUWOLSCINE | -5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 334 | 4 | 1 | 4 | 4.6 | CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl | None | ||
2142 | 3074 | 58 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3074 | 58 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3074 | 58 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3074 | 58 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3074 | 58 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3074 | 58 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
135398737 | 955 | 93 | 3H-CLONIDINE | -3 | 92 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
135398737 | 955 | 93 | 3H-RAUWOLSCINE | -3 | 92 | Human | 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-CLONIDINE | -3 | 92 | Human | 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-RAUWOLSCINE | -3 | 92 | Human | 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-CLONIDINE | -3 | 92 | Human | 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-RAUWOLSCINE | -3 | 92 | Human | 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-CLONIDINE | -3 | 92 | Human | 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-RAUWOLSCINE | -3 | 92 | Human | 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-CLONIDINE | -3 | 92 | Human | 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-RAUWOLSCINE | -3 | 92 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
3075702 | 217305 | 0 | 3H-RAUWOLSCINE | 1 | 37 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
1267 | 3775 | 49 | 3H-RAUWOLSCINE | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
3035905 | 3775 | 49 | 3H-RAUWOLSCINE | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
CHEMBL260374 | 3775 | 49 | 3H-RAUWOLSCINE | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
2337 | 3232 | 77 | 3H-RAUWOLSCINE | -10 | 63 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3232 | 77 | 3H-RAUWOLSCINE | -10 | 63 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3232 | 77 | 3H-RAUWOLSCINE | -10 | 63 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3232 | 77 | 3H-RAUWOLSCINE | -10 | 63 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3232 | 77 | 3H-RAUWOLSCINE | -10 | 63 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
4209 | 3141 | 75 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3141 | 75 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3141 | 75 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3141 | 75 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3141 | 75 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3141 | 75 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
25058166 | 215935 | 0 | 3H-RX821002 | -18 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
6852389 | 215935 | 0 | 3H-RX821002 | -18 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
242 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
2726 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
242 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
2695 | 3812 | 81 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
5504 | 3812 | 81 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
7310 | 3812 | 81 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
CHEMBL770 | 3812 | 81 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
DB00797 | 3812 | 81 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
16362 | 3103 | 71 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
2172 | 3103 | 71 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
90 | 3103 | 71 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
CHEMBL1423 | 3103 | 71 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
DB01100 | 3103 | 71 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
242 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 469 | 124 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
1343 | 1876 | 62 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
3519 | 1876 | 62 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
522 | 1876 | 62 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
CHEMBL862 | 1876 | 62 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
DB01018 | 1876 | 62 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
214 | 3831 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
2740 | 3831 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
5566 | 3831 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
66064 | 3831 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL422 | 3831 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00831 | 3831 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
None | 217626 | 0 | UNDEFINED | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.5 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
135398737 | 955 | 93 | 3H-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
44438166 | 93788 | 0 | UNDEFINED | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | None | ||
CHEMBL247664 | 93788 | 0 | UNDEFINED | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | None | ||
135 | 2515 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
3652 | 46214 | 70 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
CHEMBL1535 | 46214 | 70 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
None | 216303 | 0 | 3H-CLONIDINE | -2 | 28 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
11079 | 2714 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
3369 | 2714 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
4436 | 2714 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
5509 | 2714 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
CHEMBL761 | 2714 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
DB06711 | 2714 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
2726 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 916 | 68 | 3H-RAUWOLSCINE | -31 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
6852400 | 215914 | 0 | 3H-RAUWOLSCINE | -104 | 22 | Human | 7.4 | pKi | = | 7.4 | 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-RAUWOLSCINE | -104 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O | None | ||
104870 | 98852 | 47 | 3H-RX821002 | -3 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98852 | 47 | 3H-RX821002 | -3 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98852 | 47 | 3H-RX821002 | -3 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
122295 | 9836 | 7 | 3H-RAUWOLSCINE | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | ||
CHEMBL114166 | 9836 | 7 | 3H-RAUWOLSCINE | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | ||
None | 216213 | 0 | 3H-CLONIDINE | -27542 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
3952 | 1875 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5353646 | 1875 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5443 | 1875 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5702063 | 1875 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL1331786 | 1875 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL420 | 1875 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
45266826 | 217664 | 0 | 3H-RAUWOLSCINE | -6 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 177 | 3 | 1 | 2 | 1.8 | CC1=CC=C(C=C1)C(=O)C(C)NC | None | ||
2435 | 3563 | 83 | 3H-CLONIDINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
2435 | 3563 | 83 | 3H-RAUWOLSCINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
60149 | 3563 | 83 | 3H-CLONIDINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
60149 | 3563 | 83 | 3H-RAUWOLSCINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
98 | 3563 | 83 | 3H-CLONIDINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
98 | 3563 | 83 | 3H-RAUWOLSCINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
CHEMBL12713 | 3563 | 83 | 3H-CLONIDINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
CHEMBL12713 | 3563 | 83 | 3H-RAUWOLSCINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
DB06144 | 3563 | 83 | 3H-CLONIDINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
DB06144 | 3563 | 83 | 3H-RAUWOLSCINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
2726 | 916 | 68 | 3H-CLONIDINE | -31 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 916 | 68 | 3H-CLONIDINE | -31 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 916 | 68 | 3H-CLONIDINE | -31 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 916 | 68 | 3H-CLONIDINE | -31 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 916 | 68 | 3H-CLONIDINE | -31 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
68712 | 100310 | 60 | 35S-GTPGammaS | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
CHEMBL289480 | 100310 | 60 | 35S-GTPGammaS | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
122211 | 461 | 0 | 3H-RAUWOLSCINE | -30 | 6 | North American opossum | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
524 | 461 | 0 | 3H-RAUWOLSCINE | -30 | 6 | North American opossum | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
2719 | 914 | 74 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
5535 | 914 | 74 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
607 | 914 | 74 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
CHEMBL76 | 914 | 74 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
DB00608 | 914 | 74 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
164512323 | 216005 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
6419959 | 216005 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
2142 | 3074 | 58 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3074 | 58 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3074 | 58 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3074 | 58 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3074 | 58 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3074 | 58 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5280805 | 85376 | 81 | None | -29 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | ||
CHEMBL226335 | 85376 | 81 | None | -29 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | ||
135 | 2515 | 43 | 3H-RAUWOLSCINE | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
2695 | 3812 | 81 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
5504 | 3812 | 81 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
7310 | 3812 | 81 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
CHEMBL770 | 3812 | 81 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
DB00797 | 3812 | 81 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 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 | ||
28417 | 40009 | 49 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | ||
CHEMBL1479 | 40009 | 49 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | ||
448537 | 160226 | 89 | None | -21 | 25 | Human | 8.3 | pKi | = | 8.3 | 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 | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
12574 | 2587 | 88 | None | -87 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
4810 | 2587 | 88 | None | -87 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
CHEMBL19236 | 2587 | 88 | None | -87 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
DB09242 | 2587 | 88 | None | -87 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
6018 | 11033 | 96 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2 | None | ||
CHEMBL117785 | 11033 | 96 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2 | None | ||
2402 | 3345 | 62 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
5095 | 3345 | 62 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
7295 | 3345 | 62 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
CHEMBL589 | 3345 | 62 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
DB00268 | 3345 | 62 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
104903 | 56314 | 17 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
3598 | 187797 | 76 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | ||
2803 | 952 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 952 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 952 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 952 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 952 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
11954259 | 215954 | 0 | 3H-CLONIDINE | -173 | 44 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
11954259 | 215954 | 0 | 3H-CLONIDINE | -173 | 44 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
119570 | 3137 | 96 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2233 | 3137 | 96 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
953 | 3137 | 96 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
CHEMBL301265 | 3137 | 96 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
DB00413 | 3137 | 96 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
100 | 3776 | 58 | 3H-RAUWOLSCINE | -27 | 56 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3776 | 58 | 3H-RAUWOLSCINE | -27 | 56 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3776 | 58 | 3H-RAUWOLSCINE | -27 | 56 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3776 | 58 | 3H-RAUWOLSCINE | -27 | 56 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3776 | 58 | 3H-RAUWOLSCINE | -27 | 56 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
1353 | 1898 | 93 | 3H-CLONIDINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
1353 | 1898 | 93 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1898 | 93 | 3H-CLONIDINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1898 | 93 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1898 | 93 | 3H-CLONIDINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1898 | 93 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1898 | 93 | 3H-CLONIDINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1898 | 93 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1898 | 93 | 3H-CLONIDINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1898 | 93 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
4209 | 3141 | 75 | 3H-MK912 | -181 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3141 | 75 | 3H-MK912 | -181 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3141 | 75 | 3H-MK912 | -181 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3141 | 75 | 3H-MK912 | -181 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3141 | 75 | 3H-MK912 | -181 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3141 | 75 | 3H-MK912 | -181 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
484 | 2837 | 51 | 35S-GTPGammaS | -8 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2837 | 51 | 35S-GTPGammaS | -8 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2837 | 51 | 35S-GTPGammaS | -8 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
2865 | 4112 | 73 | 3H-CLONIDINE | -64 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4112 | 73 | 3H-CLONIDINE | -64 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4112 | 73 | 3H-CLONIDINE | -64 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4112 | 73 | 3H-CLONIDINE | -64 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4112 | 73 | 3H-CLONIDINE | -64 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
162265 | 202251 | 22 | 3H-CLONIDINE | -8 | 45 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 202251 | 22 | 3H-CLONIDINE | -8 | 45 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 202251 | 22 | 3H-CLONIDINE | -8 | 45 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4158 | 205318 | 21 | None | 1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL1722 | 205318 | 21 | None | 1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL796 | 205318 | 21 | None | 1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
10836 | 14435 | 14 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
CHEMBL1201201 | 14435 | 14 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
1836 | 2574 | 59 | None | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
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 | ||
1960 | 2838 | 67 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
439260 | 2838 | 67 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
505 | 2838 | 67 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL1437 | 2838 | 67 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00368 | 2838 | 67 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
68617 | 205504 | 62 | None | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | 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 | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | 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 | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
2406 | 100376 | 89 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
CHEMBL290106 | 100376 | 89 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
5353853 | 17954 | 47 | None | -11 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -11 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -11 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
3561 | 19045 | 39 | None | -2 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | None | ||
CHEMBL1289 | 19045 | 39 | None | -2 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | None | ||
237 | 204842 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
CHEMBL546257 | 204842 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
CHEMBL554190 | 204842 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
CHEMBL7568 | 204842 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
2600 | 3750 | 74 | None | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | 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 | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | 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 | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | 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 | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | 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 | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
2342 | 596 | 39 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
331 | 596 | 39 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
7124 | 596 | 39 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
CHEMBL1201250 | 596 | 39 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
DB00767 | 596 | 39 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
1353 | 1898 | 93 | None | -87 | 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 | -87 | 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 | -87 | 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 | -87 | 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 | -87 | 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 | ||
657255 | 199061 | 34 | None | -8 | 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 | -8 | 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 | ||
1443 | 2015 | 34 | None | -11 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
33625 | 2015 | 34 | None | -11 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
501 | 2015 | 34 | None | -11 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
CHEMBL279516 | 2015 | 34 | None | -11 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
DB08950 | 2015 | 34 | None | -11 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
191 | 402 | 98 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
201 | 402 | 98 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
2170 | 402 | 98 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
CHEMBL1113 | 402 | 98 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
DB00543 | 402 | 98 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
60838 | 183850 | 99 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | None | ||
CHEMBL481 | 183850 | 99 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | None | ||
463 | 1393 | 22 | None | -48 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
6918097 | 1393 | 22 | None | -48 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
837 | 1393 | 22 | None | -48 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
CHEMBL2051956 | 1393 | 22 | None | -48 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
DB14068 | 1393 | 22 | None | -48 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
33630 | 178933 | 99 | None | -9 | 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 | -9 | 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 | ||
2435 | 3563 | 83 | None | -104 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
60149 | 3563 | 83 | None | -104 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
98 | 3563 | 83 | None | -104 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
CHEMBL12713 | 3563 | 83 | None | -104 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
DB06144 | 3563 | 83 | None | -104 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
4011 | 82379 | 49 | None | -28 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
CHEMBL21731 | 82379 | 49 | None | -28 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
11079 | 2714 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
3369 | 2714 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
4436 | 2714 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
5509 | 2714 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
CHEMBL761 | 2714 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
DB06711 | 2714 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
214 | 3831 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
2740 | 3831 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
5566 | 3831 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
66064 | 3831 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL422 | 3831 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00831 | 3831 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
16362 | 3103 | 71 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
2172 | 3103 | 71 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
90 | 3103 | 71 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
CHEMBL1423 | 3103 | 71 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
DB01100 | 3103 | 71 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
1028 | 289 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
139148732 | 289 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
479 | 289 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
5816 | 289 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL679 | 289 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00668 | 289 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
2286 | 3161 | 51 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
4927 | 3161 | 51 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
7282 | 3161 | 51 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
CHEMBL643 | 3161 | 51 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
DB01069 | 3161 | 51 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
2247 | 504 | 81 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
249 | 504 | 81 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
2603 | 504 | 81 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
CHEMBL296419 | 504 | 81 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
DB00637 | 504 | 81 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
2335 | 11816 | 22 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
8478 | 11816 | 22 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
CHEMBL1182210 | 11816 | 22 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
CHEMBL221753 | 11816 | 22 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
2181 | 3106 | 46 | None | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | 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 | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | 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 | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | 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 | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | 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 | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
3157 | 1458 | 71 | None | -39 | 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 | -39 | 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 | -39 | 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 | -39 | 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 | -39 | 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 | ||
11057 | 176125 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
3468 | 176125 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
CHEMBL459265 | 176125 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
CHEMBL64894 | 176125 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
5524 | 216437 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 215 | 1 | 2 | 3 | 1.9 | C1CCC2=C(C1)C=CC=C2NC3=NCCN3 | None | ||
2162 | 41484 | 100 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | ||
CHEMBL1491 | 41484 | 100 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | ||
3168 | 9230 | 92 | None | -63 | 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 | -63 | 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 | ||
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 | ||
2398 | 951 | 62 | None | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
104870 | 98852 | 47 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98852 | 47 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98852 | 47 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
66265 | 93984 | 15 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | 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 | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
277 | 1289 | 62 | None | -42 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
2913 | 1289 | 62 | None | -42 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
765 | 1289 | 62 | None | -42 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
CHEMBL516 | 1289 | 62 | None | -42 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
DB00434 | 1289 | 62 | None | -42 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
1830 | 2572 | 44 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
207 | 2572 | 44 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
23897 | 2572 | 44 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
CHEMBL460 | 2572 | 44 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
DB01618 | 2572 | 44 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
5472 | 205795 | 75 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | ||
CHEMBL1717 | 205795 | 75 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | ||
CHEMBL833 | 205795 | 75 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | ||
3952 | 1875 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5353646 | 1875 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5443 | 1875 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5702063 | 1875 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL1331786 | 1875 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL420 | 1875 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
213 | 3824 | 55 | None | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 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 | ||
3151 | 1450 | 97 | None | -40 | 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 | -40 | 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 | -40 | 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 | -40 | 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 | -40 | 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 | ||
3584 | 3748 | 64 | None | -50 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
5401 | 3748 | 64 | None | -50 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
7302 | 3748 | 64 | None | -50 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
CHEMBL611 | 3748 | 64 | None | -50 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
DB01162 | 3748 | 64 | None | -50 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
3658 | 4076 | 53 | None | -17 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
517 | 4076 | 53 | None | -17 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
5709 | 4076 | 53 | None | -17 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
CHEMBL312448 | 4076 | 53 | None | -17 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
DB06694 | 4076 | 53 | None | -17 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
240 | 941 | 43 | None | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | ||
2351 | 3261 | 64 | None | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | ||
1576 | 216300 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
1222 | 1651 | 49 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3396 | 1651 | 49 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
85 | 1651 | 49 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL46516 | 1651 | 49 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
DB04842 | 1651 | 49 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
103 | 4122 | 61 | 3H-CLONIDINE | -33 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4122 | 61 | 3H-CLONIDINE | -33 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4122 | 61 | 3H-CLONIDINE | -33 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4122 | 61 | 3H-CLONIDINE | -33 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4122 | 61 | 3H-CLONIDINE | -33 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2803 | 952 | 58 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 952 | 58 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 952 | 58 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 952 | 58 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 952 | 58 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
15897 | 2840 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
2105 | 3032 | 37 | 3H-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
2202 | 3110 | 96 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
4850 | 3110 | 96 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
49 | 3110 | 96 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL1371770 | 3110 | 96 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
DB12478 | 3110 | 96 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
11141 | 344 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
120 | 344 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
135413504 | 344 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
43008 | 344 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
CHEMBL290194 | 344 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
DB01425 | 344 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
1547484 | 937 | 74 | None | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | ||
103 | 4122 | 61 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4122 | 61 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4122 | 61 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4122 | 61 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4122 | 61 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
209 | 3035 | 97 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
2113 | 3035 | 97 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
4748 | 3035 | 97 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
CHEMBL567 | 3035 | 97 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
DB00850 | 3035 | 97 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
2726 | 916 | 68 | None | -31 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 916 | 68 | None | -31 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 916 | 68 | None | -31 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 916 | 68 | None | -31 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 916 | 68 | None | -31 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
1613 | 2333 | 53 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2333 | 53 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2333 | 53 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2333 | 53 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2333 | 53 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
2865 | 4112 | 73 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4112 | 73 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4112 | 73 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4112 | 73 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4112 | 73 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
100 | 3776 | 58 | None | -27 | 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 | -27 | 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 | -27 | 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 | -27 | 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 | -27 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
1593 | 2325 | 66 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
30668 | 2325 | 66 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
9868 | 2325 | 66 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
CHEMBL17860 | 2325 | 66 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
DB04948 | 2325 | 66 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
1960 | 2838 | 67 | None | -20 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
439260 | 2838 | 67 | None | -20 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
505 | 2838 | 67 | None | -20 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL1437 | 2838 | 67 | None | -20 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00368 | 2838 | 67 | None | -20 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
2105 | 3032 | 37 | None | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
2202 | 3110 | 96 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
4850 | 3110 | 96 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
49 | 3110 | 96 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL1371770 | 3110 | 96 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
DB12478 | 3110 | 96 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
441383 | 20301 | 57 | None | 2 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
CHEMBL1306 | 20301 | 57 | None | 2 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
1222 | 1651 | 49 | None | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
1201549 | 594 | 24 | None | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | 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 | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | 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 | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | 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 | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | 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 | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | 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 | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
212 | 3777 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
2639 | 3777 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
941651 | 3777 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
CHEMBL1201 | 3777 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
DB01623 | 3777 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
3191 | 102831 | 97 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | 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 | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
228 | 444 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
33 | 444 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
6005 | 444 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
CHEMBL53 | 444 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
DB00714 | 444 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
242 | 469 | 124 | None | -23 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 469 | 124 | None | -23 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 469 | 124 | None | -23 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 469 | 124 | None | -23 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 469 | 124 | None | -23 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
2284 | 3160 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
4926 | 3160 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
7281 | 3160 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
CHEMBL564 | 3160 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
DB00420 | 3160 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
12488 | 1644 | 56 | None | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | 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 | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | 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 | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | 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 | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
2216 | 445 | 50 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
229 | 445 | 50 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
7117 | 445 | 50 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
CHEMBL647 | 445 | 50 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
DB00964 | 445 | 50 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
1971 | 2846 | 38 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
2404 | 2846 | 38 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
4543 | 2846 | 38 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
CHEMBL445 | 2846 | 38 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
DB00540 | 2846 | 38 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
1212 | 1649 | 50 | None | -54 | 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 | -54 | 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 | -54 | 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 | -54 | 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 | -54 | 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 | ||
135398745 | 2893 | 112 | None | -30 | 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 | -30 | 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 | -30 | 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 | -30 | 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 | ||
3389 | 217683 | 0 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | ||
133 | 2479 | 52 | None | -26 | 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 | -26 | 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 | -26 | 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 | -26 | 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 | -26 | 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 | ||
10219 | 188772 | 37 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
CHEMBL493439 | 188772 | 37 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
CHEMBL50588 | 188772 | 37 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
31101 | 726 | 40 | None | -36 | 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 | -36 | 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 | -36 | 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 | -36 | 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 | -36 | 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 | ||
4209 | 3141 | 75 | None | -181 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3141 | 75 | None | -181 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3141 | 75 | None | -181 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3141 | 75 | None | -181 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3141 | 75 | None | -181 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3141 | 75 | None | -181 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
37 | 775 | 60 | None | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | ||
1816 | 2523 | 102 | None | -38 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
4205 | 2523 | 102 | None | -38 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
7241 | 2523 | 102 | None | -38 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
CHEMBL654 | 2523 | 102 | None | -38 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
DB00370 | 2523 | 102 | None | -38 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
3294 | 1993 | 111 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
71360 | 1993 | 111 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
87 | 1993 | 111 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
CHEMBL14376 | 1993 | 111 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
DB04946 | 1993 | 111 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
26987 | 946 | 33 | None | -107 | 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 | -107 | 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 | -107 | 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 | -107 | 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 | -107 | 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 | ||
2585 | 800 | 103 | None | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
68712 | 100310 | 60 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
CHEMBL289480 | 100310 | 60 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
2274 | 3151 | 58 | None | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
213046 | 2370 | 59 | None | -10 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | ||
4168 | 2370 | 59 | None | -10 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | ||
7461 | 2370 | 59 | None | -10 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | ||
CHEMBL1237021 | 2370 | 59 | None | -10 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | ||
DB08815 | 2370 | 59 | None | -10 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | ||
25137849 | 216153 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
71290 | 216153 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
124 | 2960 | 47 | 3H-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | 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-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | 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-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | 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-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | 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-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
100 | 3776 | 58 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3776 | 58 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3776 | 58 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3776 | 58 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3776 | 58 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
100 | 3776 | 58 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3776 | 58 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3776 | 58 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3776 | 58 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3776 | 58 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2683 | 3805 | 60 | 3H-RAUWOLSCINE | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
5487 | 3805 | 60 | 3H-RAUWOLSCINE | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
7308 | 3805 | 60 | 3H-RAUWOLSCINE | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
CHEMBL1079 | 3805 | 60 | 3H-RAUWOLSCINE | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
DB00697 | 3805 | 60 | 3H-RAUWOLSCINE | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
None | 216299 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
2865 | 4112 | 73 | 3H-CLONIDINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
2865 | 4112 | 73 | 3H-RAUWOLSCINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4112 | 73 | 3H-CLONIDINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4112 | 73 | 3H-RAUWOLSCINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4112 | 73 | 3H-CLONIDINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4112 | 73 | 3H-RAUWOLSCINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4112 | 73 | 3H-CLONIDINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4112 | 73 | 3H-RAUWOLSCINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4112 | 73 | 3H-CLONIDINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4112 | 73 | 3H-RAUWOLSCINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
1613 | 2333 | 53 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2333 | 53 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2333 | 53 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2333 | 53 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2333 | 53 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
11750482 | 147396 | 0 | UNDEFINED | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | None | ||
CHEMBL392991 | 147396 | 0 | UNDEFINED | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | None | ||
180 | 400 | 56 | None | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
2142 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3074 | 58 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
129211 | 3722 | 78 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
2562 | 3722 | 78 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
488 | 3722 | 78 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
CHEMBL836 | 3722 | 78 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
DB00706 | 3722 | 78 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
6761 | 67770 | 19 | None | -3 | 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 | -3 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
115237 | 55555 | 119 | None | -29 | 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 | -29 | 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 | ||
134551 | 357 | 27 | None | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2515 | 43 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2515 | 43 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2515 | 43 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2515 | 43 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
2389 | 3306 | 118 | None | -10 | 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 | -10 | 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 | -10 | 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 | -10 | 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 | -10 | 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 | ||
135398737 | 955 | 93 | None | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
11954224 | 215928 | 0 | None | -4168 | 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 | ||
10531 | 1408 | 21 | None | -9 | 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 | -9 | 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 | -9 | 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 | -9 | 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 | -9 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | ||
1613 | 2333 | 53 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2333 | 53 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2333 | 53 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2333 | 53 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2333 | 53 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
10836 | 14435 | 14 | 3H-CLONIDINE | -1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
CHEMBL1201201 | 14435 | 14 | 3H-CLONIDINE | -1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
135398745 | 2893 | 112 | 3H-RAUWOLSCINE | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2893 | 112 | 3H-RAUWOLSCINE | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2893 | 112 | 3H-RAUWOLSCINE | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2893 | 112 | 3H-RAUWOLSCINE | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
209 | 3035 | 97 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
2113 | 3035 | 97 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
4748 | 3035 | 97 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
CHEMBL567 | 3035 | 97 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
DB00850 | 3035 | 97 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
4158 | 205318 | 21 | 125I-Clonidine | 1 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL1722 | 205318 | 21 | 125I-Clonidine | 1 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL796 | 205318 | 21 | 125I-Clonidine | 1 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
134 | 2497 | 24 | 3H-CLONIDINE | -21 | 68 | Human | 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-CLONIDINE | -21 | 68 | Human | 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-CLONIDINE | -21 | 68 | Human | 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-CLONIDINE | -21 | 68 | Human | 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-CLONIDINE | -21 | 68 | Human | 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 | ||
124 | 2960 | 47 | None | -60 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -60 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -60 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -60 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -60 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
None | 216304 | 0 | UNDEFINED | -8 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | ||
2601 | 3751 | 33 | None | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | 3H-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
2389 | 3306 | 118 | 3H-RAUWOLSCINE | -10 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3306 | 118 | 3H-RAUWOLSCINE | -10 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3306 | 118 | 3H-RAUWOLSCINE | -10 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3306 | 118 | 3H-RAUWOLSCINE | -10 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3306 | 118 | 3H-RAUWOLSCINE | -10 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
1588 | 2311 | 27 | None | -3 | 44 | Human | 8.0 | pKi | = | 8.0 | 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 | -3 | 44 | Human | 8.0 | pKi | = | 8.0 | 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 | -3 | 44 | Human | 8.0 | pKi | = | 8.0 | 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 | -3 | 44 | Human | 8.0 | pKi | = | 8.0 | 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 | -3 | 44 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
11978813 | 718 | 79 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
5014 | 718 | 79 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
7672 | 718 | 79 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
CHEMBL2105760 | 718 | 79 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
DB09128 | 718 | 79 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 50 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 50 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 50 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 50 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
521 | 1392 | 69 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
5311068 | 1392 | 69 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
835 | 1392 | 69 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
CHEMBL778 | 1392 | 69 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
DB00633 | 1392 | 69 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
44438161 | 147116 | 0 | UNDEFINED | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | None | ||
CHEMBL392771 | 147116 | 0 | UNDEFINED | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | None | ||
44438165 | 166760 | 0 | UNDEFINED | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | None | ||
CHEMBL428407 | 166760 | 0 | UNDEFINED | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | None | ||
44438148 | 93461 | 0 | UNDEFINED | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | None | ||
CHEMBL246229 | 93461 | 0 | UNDEFINED | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | None | ||
2142 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3074 | 58 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
15897 | 2840 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
68602 | 205103 | 80 | 35S-GTPGammaS | -4 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 205103 | 80 | 35S-GTPGammaS | -4 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
15897 | 2840 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2840 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2840 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
104870 | 98852 | 47 | 35S-GTPGammaS | -3 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98852 | 47 | 35S-GTPGammaS | -3 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98852 | 47 | 35S-GTPGammaS | -3 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
None | 216304 | 0 | 3H-CLONIDINE | -8 | 28 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | ||
1593 | 2325 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
30668 | 2325 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
9868 | 2325 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
CHEMBL17860 | 2325 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
DB04948 | 2325 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
1816 | 2523 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
1816 | 2523 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 35224877 | ||
4205 | 2523 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
4205 | 2523 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 35224877 | ||
7241 | 2523 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
7241 | 2523 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 35224877 | ||
CHEMBL654 | 2523 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
CHEMBL654 | 2523 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 35224877 | ||
DB00370 | 2523 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
DB00370 | 2523 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 35224877 | ||
2695 | 3812 | 81 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
5504 | 3812 | 81 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
7310 | 3812 | 81 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
CHEMBL770 | 3812 | 81 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
DB00797 | 3812 | 81 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
13129 | 2945 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.8 | C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC | 33296042 | ||
71301276 | 2945 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.8 | C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC | 33296042 | ||
CHEMBL4297312 | 2945 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.8 | C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC | 33296042 | ||
DB12057 | 2945 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.8 | C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC | 33296042 | ||
12574 | 2587 | 88 | None | -87 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
4810 | 2587 | 88 | None | -87 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
CHEMBL19236 | 2587 | 88 | None | -87 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
DB09242 | 2587 | 88 | None | -87 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
523 | 4075 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
523 | 4075 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
5707 | 4075 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
5707 | 4075 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
CHEMBL297362 | 4075 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
CHEMBL297362 | 4075 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
DB11477 | 4075 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
DB11477 | 4075 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
1028 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
1028 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
139148732 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
139148732 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
479 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
479 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
5816 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
5816 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
CHEMBL679 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
CHEMBL679 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
DB00668 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
DB00668 | 289 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
1960 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
1960 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
1960 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
1960 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
439260 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
439260 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
439260 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
439260 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
505 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
505 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
505 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
505 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
CHEMBL1437 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
CHEMBL1437 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
CHEMBL1437 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
CHEMBL1437 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
DB00368 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
DB00368 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
DB00368 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
DB00368 | 2838 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
1343 | 1876 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
1343 | 1876 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
3519 | 1876 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
3519 | 1876 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
522 | 1876 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
522 | 1876 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
CHEMBL862 | 1876 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
CHEMBL862 | 1876 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
DB01018 | 1876 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
DB01018 | 1876 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
4508 | 3117 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | ||
4866774 | 3117 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | ||
509 | 3117 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | ||
838 | 3117 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | ||
CHEMBL1740 | 3117 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | ||
11079 | 2714 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
3369 | 2714 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
4436 | 2714 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
5509 | 2714 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
CHEMBL761 | 2714 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
DB06711 | 2714 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
121850 | 723 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 35224877 | ||
121850 | 723 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | ||
525 | 723 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 35224877 | ||
525 | 723 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | ||
CHEMBL216097 | 723 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 35224877 | ||
CHEMBL216097 | 723 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | ||
124 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
124 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
124 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
124 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
2032 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
2032 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
2032 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
2032 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
4636 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
4636 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
4636 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
4636 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
CHEMBL762 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
CHEMBL762 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
CHEMBL762 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
CHEMBL762 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
DB00935 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
DB00935 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
DB00935 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
DB00935 | 2960 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
2435 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
2435 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
2435 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
2435 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
2435 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
395 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
395 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
395 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
395 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
395 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
520 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
520 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
520 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
520 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
520 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
5386 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
5386 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
5386 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
5386 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
5386 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
CHEMBL844 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
CHEMBL844 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
CHEMBL844 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
CHEMBL844 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
CHEMBL844 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
DB00484 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
DB00484 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
DB00484 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
DB00484 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
DB00484 | 719 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
2726 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
2726 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 35224877 | ||
2726 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
621 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
621 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 35224877 | ||
621 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
83 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
83 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 35224877 | ||
83 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
CHEMBL71 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
CHEMBL71 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 35224877 | ||
CHEMBL71 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
DB00477 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
DB00477 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 35224877 | ||
DB00477 | 916 | 68 | None | -31 | 73 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
2803 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
2803 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
2803 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
2803 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
516 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
516 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
516 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
516 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
704 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
704 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
704 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
704 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
CHEMBL134 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
CHEMBL134 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
CHEMBL134 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
CHEMBL134 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
DB00575 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
DB00575 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
DB00575 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
DB00575 | 952 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
3658 | 4076 | 53 | None | -17 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
517 | 4076 | 53 | None | -17 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
5709 | 4076 | 53 | None | -17 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
CHEMBL312448 | 4076 | 53 | None | -17 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
DB06694 | 4076 | 53 | None | -17 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
12575 | 1975 | 30 | None | -8 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | ||
54459 | 1975 | 30 | None | -8 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | ||
CHEMBL10316 | 1975 | 30 | None | -8 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | ||
2105 | 3032 | 37 | None | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
4209 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
4209 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | ||
4209 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
4209 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
4893 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
4893 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | ||
4893 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
4893 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
503 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
503 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | ||
503 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
503 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
5385 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
5385 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | ||
5385 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
5385 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
CHEMBL2 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
CHEMBL2 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | ||
CHEMBL2 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
CHEMBL2 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
DB00457 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
DB00457 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | ||
DB00457 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
DB00457 | 3141 | 75 | None | -181 | 34 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
2216 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | ||
2216 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
229 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | ||
229 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
7117 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | ||
7117 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
CHEMBL647 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | ||
CHEMBL647 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
DB00964 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | ||
DB00964 | 445 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
122211 | 461 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 1353247 | ||
122211 | 461 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 35224877 | ||
122211 | 461 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7908642 | ||
122211 | 461 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7996470 | ||
524 | 461 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 1353247 | ||
524 | 461 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 35224877 | ||
524 | 461 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7908642 | ||
524 | 461 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7996470 | ||
31101 | 726 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
31101 | 726 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | 36101495 | ||
35 | 726 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | 36101495 | ||
403 | 726 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | 36101495 | ||
CHEMBL493 | 726 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | 36101495 | ||
DB01200 | 726 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | 36101495 | ||
213046 | 2370 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 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 | 20404009 | ||
213046 | 2370 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 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 | 35224877 | ||
4168 | 2370 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 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 | 20404009 | ||
4168 | 2370 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 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 | 35224877 | ||
7461 | 2370 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 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 | 20404009 | ||
7461 | 2370 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 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 | 35224877 | ||
CHEMBL1237021 | 2370 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 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 | 20404009 | ||
CHEMBL1237021 | 2370 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 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 | 35224877 | ||
DB08815 | 2370 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 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 | 20404009 | ||
DB08815 | 2370 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 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 | 35224877 | ||
2741 | 349 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 2 | 4.8 | C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)C(=O)CCC1(C)C | 15771415 | ||
6437063 | 349 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 2 | 4.8 | C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)C(=O)CCC1(C)C | 15771415 | ||
CHEMBL104049 | 349 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 2 | 4.8 | C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)C(=O)CCC1(C)C | 15771415 | ||
2142 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
2142 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | ||
2142 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
4920903 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
4920903 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | ||
4920903 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
502 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
502 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | ||
502 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
5775 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
5775 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | ||
5775 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
CHEMBL597 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
CHEMBL597 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | ||
CHEMBL597 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
DB00692 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
DB00692 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | ||
DB00692 | 3074 | 58 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
11959 | 1524 | 0 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 405 | 5 | 1 | 7 | 3.0 | Cn1c(=O)c(c(cn1)NCCN1CCC(CC1)c1noc2c1ccc(c2)F)Cl | 22824189 | ||
9909267 | 1524 | 0 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 405 | 5 | 1 | 7 | 3.0 | Cn1c(=O)c(c(cn1)NCCN1CCC(CC1)c1noc2c1ccc(c2)F)Cl | 22824189 | ||
521 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
521 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
521 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
521 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
5311068 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
5311068 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
5311068 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
5311068 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
835 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
835 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
835 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
835 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
CHEMBL778 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
CHEMBL778 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
CHEMBL778 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
CHEMBL778 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
DB00633 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
DB00633 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
DB00633 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
DB00633 | 1392 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
108094 | 3397 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
108094 | 3397 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
526 | 3397 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
526 | 3397 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
528 | 3397 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
528 | 3397 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
CHEMBL10332 | 3397 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
CHEMBL10332 | 3397 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
12576 | 513 | 94 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
71310 | 513 | 94 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
CHEMBL353972 | 513 | 94 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
DB11481 | 513 | 94 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
499 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | ||
499 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 35224877 | ||
499 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | ||
499 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | ||
5685 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | ||
5685 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 35224877 | ||
5685 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | ||
5685 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | ||
CHEMBL25554 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | ||
CHEMBL25554 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 35224877 | ||
CHEMBL25554 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | ||
CHEMBL25554 | 4046 | 18 | None | -3 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | ||
5268 | 3629 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 35224877 | ||
5268 | 3629 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | ||
53 | 3629 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 35224877 | ||
53 | 3629 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | ||
CHEMBL300555 | 3629 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 35224877 | ||
CHEMBL300555 | 3629 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | ||
13130 | 2944 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.9 | [H][C@@]12N(CCC[C@@]1(C)OCC)CCC3=C2OC4=C3C=CC=C4 | 23718812 | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 1353247 | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 35224877 | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7908642 | ||
102 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7996470 | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 1353247 | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 35224877 | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7908642 | ||
3659 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7996470 | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 1353247 | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 35224877 | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7908642 | ||
8969 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7996470 | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 1353247 | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 35224877 | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7908642 | ||
CHEMBL15245 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7996470 | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 1353247 | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 35224877 | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7908642 | ||
DB01392 | 4096 | 48 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7996470 | ||
136 | 3267 | 32 | None | 3 | 16 | Human | 9.1 | pKi | = | 9.1 | 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 | 7996470 | ||
223 | 3267 | 32 | None | 3 | 16 | Human | 9.1 | pKi | = | 9.1 | 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 | 7996470 | ||
643606 | 3267 | 32 | None | 3 | 16 | Human | 9.1 | pKi | = | 9.1 | 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 | 7996470 | ||
CHEMBL10347 | 3267 | 32 | None | 3 | 16 | Human | 9.1 | pKi | = | 9.1 | 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 | 7996470 | ||
13128 | 3375 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 364 | 3 | 0 | 4 | 2.4 | CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C=C(C=C4)OC | 35224877 | ||
9908992 | 3375 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 364 | 3 | 0 | 4 | 2.4 | CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C=C(C=C4)OC | 35224877 | ||
CHEMBL4303564 | 3375 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 364 | 3 | 0 | 4 | 2.4 | CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C=C(C=C4)OC | 35224877 | ||
1588 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | ||
1588 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 35224877 | ||
1588 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 9227000 | ||
28864 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 35224877 | ||
28864 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 9227000 | ||
43 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 35224877 | ||
43 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 9227000 | ||
CHEMBL157138 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 35224877 | ||
CHEMBL157138 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 9227000 | ||
DB00589 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 35224877 | ||
DB00589 | 2311 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 9227000 | ||
12577 | 2546 | 0 | None | 15 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 35224877 | ||
189711 | 2546 | 0 | None | 15 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 35224877 | ||
CHEMBL1257057 | 2546 | 0 | None | 15 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 35224877 | ||
179 | 399 | 115 | None | -40 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
2159 | 399 | 115 | None | -40 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
963 | 399 | 115 | None | -40 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
CHEMBL243712 | 399 | 115 | None | -40 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
DB06288 | 399 | 115 | None | -40 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
162265 | 202251 | 22 | None | -8 | 45 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 202251 | 22 | None | -8 | 45 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 202251 | 22 | None | -8 | 45 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
3337 | 206344 | 27 | None | -13 | 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 | -13 | 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 | -13 | 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 | -13 | 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 | -13 | 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 | ||
134 | 2497 | 24 | None | -21 | 68 | Human | 8.2 | pKi | None | 8.2 | 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 | -21 | 68 | Human | 8.2 | pKi | None | 8.2 | 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 | -21 | 68 | Human | 8.2 | pKi | None | 8.2 | 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 | -21 | 68 | Human | 8.2 | pKi | None | 8.2 | 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 | -21 | 68 | Human | 8.2 | pKi | None | 8.2 | 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 | ||
119570 | 3137 | 96 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2233 | 3137 | 96 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
953 | 3137 | 96 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
CHEMBL301265 | 3137 | 96 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
DB00413 | 3137 | 96 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
46780481 | 107504 | 20 | None | -72 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107504 | 20 | None | -72 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107504 | 20 | None | -72 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107504 | 20 | None | -72 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
2202 | 3110 | 96 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
4850 | 3110 | 96 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
49 | 3110 | 96 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
CHEMBL1371770 | 3110 | 96 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
DB12478 | 3110 | 96 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
228 | 444 | 28 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
33 | 444 | 28 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
6005 | 444 | 28 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
CHEMBL53 | 444 | 28 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
DB00714 | 444 | 28 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
37 | 775 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | 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 | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | 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 | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | 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 | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | 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 | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | 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 | ||
219050 | 3348 | 25 | None | -10 | 21 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
52 | 3348 | 25 | None | -10 | 21 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
CHEMBL431367 | 3348 | 25 | None | -10 | 21 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
2601 | 3751 | 33 | None | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | 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 | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | 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 | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | 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 | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | 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 | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | 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 |