Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
3000322 | 3562 | None | 29 | Human | Functional | pAC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
3000322.0 | 3562 | None | 29 | Human | Functional | pAC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
330 | 3562 | None | 29 | Human | Functional | pAC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL569713 | 3562 | None | 29 | Human | Functional | pAC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
DB00747 | 3562 | None | 29 | Human | Functional | pAC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
11693 | 1827 | None | 12 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 7 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
3494 | 1827 | None | 12 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 7 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
3494.0 | 1827 | None | 12 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 7 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
4302 | 1827 | None | 12 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 7 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
7459 | 1827 | None | 12 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 7 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
9933193 | 1827 | None | 12 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 7 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
9933193.0 | 1827 | None | 12 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 7 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201335 | 1827 | None | 12 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 7 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
DB00986 | 1827 | None | 12 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 7 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
367 | 3824 | None | 10 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
5487427 | 3824 | None | 10 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
5487427.0 | 3824 | None | 10 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
8592 | 3824 | None | 10 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1900528 | 3824 | None | 10 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3305968 | 3824 | None | 10 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
CHEMBL4650755 | 3824 | None | 10 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
DB01409 | 3824 | None | 10 | Human | Functional | pAC50 | = | 8 | 8.0 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
3775 | 14481 | None | 19 | Human | Functional | pAC50 | = | 8 | 8.0 | -1 | 3 | ChEMBL | 353 | 8 | 1 | 1 | 4.1 | CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
3775.0 | 14481 | None | 19 | Human | Functional | pAC50 | = | 8 | 8.0 | -1 | 3 | ChEMBL | 353 | 8 | 1 | 1 | 4.1 | CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201232 | 14481 | None | 19 | Human | Functional | pAC50 | = | 8 | 8.0 | -1 | 3 | ChEMBL | 353 | 8 | 1 | 1 | 4.1 | CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
DB01625 | 14481 | None | 19 | Human | Functional | pAC50 | = | 8 | 8.0 | -1 | 3 | ChEMBL | 353 | 8 | 1 | 1 | 4.1 | CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
1613 | 2348 | None | 42 | Human | Functional | pAC50 | = | 5 | 5.0 | -169 | 33 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
205 | 2348 | None | 42 | Human | Functional | pAC50 | = | 5 | 5.0 | -169 | 33 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
3964 | 2348 | None | 42 | Human | Functional | pAC50 | = | 5 | 5.0 | -169 | 33 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
3964.0 | 2348 | None | 42 | Human | Functional | pAC50 | = | 5 | 5.0 | -169 | 33 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL831 | 2348 | None | 42 | Human | Functional | pAC50 | = | 5 | 5.0 | -169 | 33 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
DB00408 | 2348 | None | 42 | Human | Functional | pAC50 | = | 5 | 5.0 | -169 | 33 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
2136 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5 | 5.0 | -199 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4768 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5 | 5.0 | -199 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4768.0 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5 | 5.0 | -199 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
7268 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5 | 5.0 | -199 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL753 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5 | 5.0 | -199 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00925 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5 | 5.0 | -199 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
5280343 | 188382 | None | 69 | Human | Functional | pAC50 | = | 5 | 5.0 | -63 | 12 | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1520590 | 188382 | None | 69 | Human | Functional | pAC50 | = | 5 | 5.0 | -63 | 12 | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL50 | 188382 | None | 69 | Human | Functional | pAC50 | = | 5 | 5.0 | -63 | 12 | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | |||
2247 | 505 | None | 55 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -323 | 42 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
249 | 505 | None | 55 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -323 | 42 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
2603 | 505 | None | 55 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -323 | 42 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL296419 | 505 | None | 55 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -323 | 42 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00637 | 505 | None | 55 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -323 | 42 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
4614 | 5393 | None | 62 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -131 | 10 | ChEMBL | 293 | 5 | 1 | 3 | 4.0 | O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1071 | 5393 | None | 62 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -131 | 10 | ChEMBL | 293 | 5 | 1 | 3 | 4.0 | O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1038/s41467-023-40064-9 | |||
47936 | 193531 | None | 56 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -97 | 6 | ChEMBL | 410 | 2 | 3 | 7 | 1.5 | C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C | 10.1038/s41467-023-40064-9 | |||
CHEMBL52606 | 193531 | None | 56 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -97 | 6 | ChEMBL | 410 | 2 | 3 | 7 | 1.5 | C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C | 10.1038/s41467-023-40064-9 | |||
180 | 401 | None | 38 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -309 | 38 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
200 | 401 | None | 38 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -309 | 38 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160 | 401 | None | 38 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -309 | 38 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160.0 | 401 | None | 38 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -309 | 38 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL629 | 401 | None | 38 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -309 | 38 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00321 | 401 | None | 38 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -309 | 38 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
4940 | 14476 | None | 26 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -18 | 15 | 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 | 14476 | None | 26 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -18 | 15 | ChEMBL | 340 | 5 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
5573 | 67602 | None | 59 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -6 | 6 | ChEMBL | 387 | 9 | 0 | 6 | 3.7 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 10.1038/s41467-023-40064-9 | |||
5573.0 | 67602 | None | 59 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -6 | 6 | ChEMBL | 387 | 9 | 0 | 6 | 3.7 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1325297 | 67602 | None | 59 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -6 | 6 | ChEMBL | 387 | 9 | 0 | 6 | 3.7 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL190044 | 67602 | None | 59 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -6 | 6 | ChEMBL | 387 | 9 | 0 | 6 | 3.7 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 10.1038/s41467-023-40064-9 | |||
DB09089 | 67602 | None | 59 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -6 | 6 | ChEMBL | 387 | 9 | 0 | 6 | 3.7 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 10.1038/s41467-023-40064-9 | |||
4919 | 208692 | None | 16 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -5 | 5 | ChEMBL | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
4919.0 | 208692 | None | 16 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -5 | 5 | ChEMBL | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL86715 | 208692 | None | 16 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -5 | 5 | ChEMBL | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB00387 | 208692 | None | 16 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -5 | 5 | ChEMBL | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
3316 | 31768 | None | 42 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -22 | 4 | ChEMBL | 221 | 7 | 1 | 2 | 2.7 | CCCCCCOc1ccccc1C(N)=O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1405973 | 31768 | None | 42 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -22 | 4 | ChEMBL | 221 | 7 | 1 | 2 | 2.7 | CCCCCCOc1ccccc1C(N)=O | 10.1038/s41467-023-40064-9 | |||
21109 | 75025 | None | 48 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 266 | 5 | 1 | 5 | 1.1 | COc1ccc(CN2CCNCC2)c(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
CHEMBL203266 | 75025 | None | 48 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 266 | 5 | 1 | 5 | 1.1 | COc1ccc(CN2CCNCC2)c(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
26248 | 161633 | None | 72 | Human | Functional | pAC50 | = | 4.9 | 4.9 | 1 | 11 | ChEMBL | 368 | 3 | 1 | 7 | 2.0 | CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O | 10.1038/s41467-023-40064-9 | |||
CHEMBL41286 | 161633 | None | 72 | Human | Functional | pAC50 | = | 4.9 | 4.9 | 1 | 11 | ChEMBL | 368 | 3 | 1 | 7 | 2.0 | CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O | 10.1038/s41467-023-40064-9 | |||
4413 | 98126 | None | 43 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -3 | 15 | 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 | 98126 | None | 43 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -3 | 15 | 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 | |||
9429 | 204590 | None | 44 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -588 | 18 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
9429.0 | 204590 | None | 44 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -588 | 18 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL609109 | 204590 | None | 44 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -588 | 18 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
DB01622 | 204590 | None | 44 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -588 | 18 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
3658 | 4107 | None | 38 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -1258 | 18 | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
517 | 4107 | None | 38 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -1258 | 18 | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
5709 | 4107 | None | 38 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -1258 | 18 | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
5709.0 | 4107 | None | 38 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -1258 | 18 | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL312448 | 4107 | None | 38 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -1258 | 18 | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
DB06694 | 4107 | None | 38 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -1258 | 18 | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
2220 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.9 | 6.9 | -30 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
27400 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.9 | 6.9 | -30 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
27400.0 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.9 | 6.9 | -30 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
93 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.9 | 6.9 | -30 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL294951 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.9 | 6.9 | -30 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
DB06153 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.9 | 6.9 | -30 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
68873 | 43578 | None | 39 | Human | Functional | pAC50 | = | 4.9 | 4.9 | 1 | 3 | ChEMBL | 366 | 0 | 0 | 3 | 4.3 | C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1509 | 43578 | None | 39 | Human | Functional | pAC50 | = | 4.9 | 4.9 | 1 | 3 | ChEMBL | 366 | 0 | 0 | 3 | 4.3 | C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | |||
443955 | 206828 | None | 60 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -11 | 8 | 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 | 206828 | None | 60 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -11 | 8 | 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 | |||
21158560 | 112856 | None | 8 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -3090 | 2 | ChEMBL | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3305985 | 112856 | None | 8 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -3090 | 2 | ChEMBL | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | 10.1038/s41467-023-40064-9 | |||
656603 | 194645 | None | 3 | Human | Functional | pAC50 | = | 7.8 | 7.8 | -29 | 5 | ChEMBL | 398 | 6 | 1 | 3 | 3.6 | C[N@+]1(CCF)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL5292015 | 194645 | None | 3 | Human | Functional | pAC50 | = | 7.8 | 7.8 | -29 | 5 | ChEMBL | 398 | 6 | 1 | 3 | 3.6 | C[N@+]1(CCF)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
41684 | 31229 | None | 62 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -3 | 32 | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1401 | 31229 | None | 62 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -3 | 32 | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
4477 | 36546 | None | 57 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -12 | 4 | ChEMBL | 326 | 3 | 2 | 4 | 3.9 | O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1448 | 36546 | None | 57 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -12 | 4 | ChEMBL | 326 | 3 | 2 | 4 | 3.9 | O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O | 10.1038/s41467-023-40064-9 | |||
5284550 | 41735 | None | 12 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -74 | 16 | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
5284550.0 | 41735 | None | 12 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -74 | 16 | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL108947 | 41735 | None | 12 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -74 | 16 | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1492500 | 41735 | None | 12 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -74 | 16 | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB09167 | 41735 | None | 12 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -74 | 16 | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
3149 | 12618 | None | 11 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -38 | 26 | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1187011 | 12618 | None | 11 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -38 | 26 | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
2333 | 142422 | None | 66 | Human | Functional | pAC50 | = | 4.9 | 4.9 | 1 | 14 | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL388590 | 142422 | None | 66 | Human | Functional | pAC50 | = | 4.9 | 4.9 | 1 | 14 | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | |||
2713 | 207729 | None | 57 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -28 | 27 | 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 | 207729 | None | 57 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -28 | 27 | 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 | 207729 | None | 57 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -28 | 27 | 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 | 207729 | None | 57 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -28 | 27 | 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 | 207729 | None | 57 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -28 | 27 | 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 | 207729 | None | 57 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -28 | 27 | 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 | 207729 | None | 57 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -28 | 27 | 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 | |||
154257 | 178724 | None | 43 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -42 | 19 | 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 | 178724 | None | 43 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -42 | 19 | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
68617 | 207985 | None | 33 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -18 | 30 | 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 | 207985 | None | 33 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -18 | 30 | 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 | 207985 | None | 33 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -18 | 30 | 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 | |||
216416 | 111644 | None | 40 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -177 | 23 | 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 | 111644 | None | 40 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -177 | 23 | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
5048 | 3133 | None | 50 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -10000 | 5 | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
8924 | 3133 | None | 50 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -10000 | 5 | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
9948102 | 3133 | None | 50 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -10000 | 5 | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
9948102.0 | 3133 | None | 50 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -10000 | 5 | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL462605 | 3133 | None | 50 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -10000 | 5 | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB11642 | 3133 | None | 50 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -10000 | 5 | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
107771 | 120312 | None | 42 | Human | Functional | pAC50 | = | 4.8 | 4.8 | 1 | 9 | 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 | 120312 | None | 42 | Human | Functional | pAC50 | = | 4.8 | 4.8 | 1 | 9 | ChEMBL | 517 | 7 | 2 | 7 | 6.1 | COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 | 10.1038/s41467-023-40064-9 | |||
5803 | 162321 | None | 58 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -3 | 8 | ChEMBL | 622 | 4 | 2 | 3 | 4.6 | O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL41632 | 162321 | None | 58 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -3 | 8 | ChEMBL | 622 | 4 | 2 | 3 | 4.6 | O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | 10.1038/s41467-023-40064-9 | |||
6127 | 14505 | None | 4 | Human | Functional | pAC50 | = | 6.8 | 6.8 | 1 | 6 | ChEMBL | 278 | 2 | 0 | 0 | 4.4 | C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
6127.0 | 14505 | None | 4 | Human | Functional | pAC50 | = | 6.8 | 6.8 | 1 | 6 | ChEMBL | 278 | 2 | 0 | 0 | 4.4 | C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201340 | 14505 | None | 4 | Human | Functional | pAC50 | = | 6.8 | 6.8 | 1 | 6 | ChEMBL | 278 | 2 | 0 | 0 | 4.4 | C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
DB13720 | 14505 | None | 4 | Human | Functional | pAC50 | = | 6.8 | 6.8 | 1 | 6 | ChEMBL | 278 | 2 | 0 | 0 | 4.4 | C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
72093 | 35070 | None | 5 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -14 | 28 | 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 | 35070 | None | 5 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -14 | 28 | 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 | 35070 | None | 5 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -14 | 28 | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
20628 | 96601 | None | 25 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -40 | 13 | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL26291 | 96601 | None | 25 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -40 | 13 | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | |||
447715 | 199383 | None | 50 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -19 | 7 | ChEMBL | 420 | 5 | 3 | 3 | 5.1 | CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
CHEMBL566315 | 199383 | None | 50 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -19 | 7 | ChEMBL | 420 | 5 | 3 | 3 | 5.1 | CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
1024 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
5359318 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
5359318.0 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
556 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
65326 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
65326.0 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
9294 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
9294.0 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1523964 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL211456 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL2146102 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
DB01364 | 1571 | None | 12 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | |||
13314 | 84267 | None | 11 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -2 | 3 | ChEMBL | 334 | 1 | 1 | 3 | 3.1 | CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL22097 | 84267 | None | 11 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -2 | 3 | ChEMBL | 334 | 1 | 1 | 3 | 3.1 | CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21 | 10.1038/s41467-023-40064-9 | |||
4450 | 178333 | None | 41 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -26 | 11 | ChEMBL | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(c2ccccc2)c2ccccc2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL465026 | 178333 | None | 41 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -26 | 11 | ChEMBL | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(c2ccccc2)c2ccccc2C1 | 10.1038/s41467-023-40064-9 | |||
2335 | 11852 | None | 18 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -16 | 34 | 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 | 11852 | None | 18 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -16 | 34 | 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 | 11852 | None | 18 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -16 | 34 | 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 | 11852 | None | 18 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -16 | 34 | 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 | |||
1816 | 2540 | None | 64 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -2754 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
4205 | 2540 | None | 64 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -2754 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
4205.0 | 2540 | None | 64 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -2754 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
7241 | 2540 | None | 64 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -2754 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL654 | 2540 | None | 64 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -2754 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
DB00370 | 2540 | None | 64 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -2754 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
4976 | 206037 | None | 20 | Human | Functional | pAC50 | = | 5.8 | 5.8 | -123 | 15 | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL668 | 206037 | None | 20 | Human | Functional | pAC50 | = | 5.8 | 5.8 | -123 | 15 | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
3036780 | 107587 | None | 16 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -95499 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
3036780.0 | 107587 | None | 16 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -95499 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
46780481 | 107587 | None | 16 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -95499 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
9903970 | 107587 | None | 16 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -95499 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
9903970.0 | 107587 | None | 16 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -95499 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3187365 | 107587 | None | 16 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -95499 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3544974 | 107587 | None | 16 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -95499 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL504548 | 107587 | None | 16 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -95499 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
DB06216 | 107587 | None | 16 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -95499 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
5210 | 33346 | None | 22 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -18 | 8 | 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 | 33346 | None | 22 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -18 | 8 | 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 | 33346 | None | 22 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -18 | 8 | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | |||
47936 | 193531 | None | 56 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -97 | 6 | ChEMBL | 410 | 2 | 3 | 7 | 1.5 | C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C | 10.1038/s41467-023-40064-9 | |||
CHEMBL52606 | 193531 | None | 56 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -97 | 6 | ChEMBL | 410 | 2 | 3 | 7 | 1.5 | C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C | 10.1038/s41467-023-40064-9 | |||
1530 | 2182 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -63 | 25 | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | |||
3827 | 2182 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -63 | 25 | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | |||
3827.0 | 2182 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -63 | 25 | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | |||
7206 | 2182 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -63 | 25 | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL534 | 2182 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -63 | 25 | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | |||
DB00920 | 2182 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -63 | 25 | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | |||
1971 | 2866 | None | 32 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1023 | 32 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
2404 | 2866 | None | 32 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1023 | 32 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
4543 | 2866 | None | 32 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1023 | 32 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
4543.0 | 2866 | None | 32 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1023 | 32 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL445 | 2866 | None | 32 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1023 | 32 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00540 | 2866 | None | 32 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1023 | 32 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
3000322 | 3562 | None | 29 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -2 | 4 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
3000322.0 | 3562 | None | 29 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -2 | 4 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
330 | 3562 | None | 29 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -2 | 4 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL569713 | 3562 | None | 29 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -2 | 4 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
DB00747 | 3562 | None | 29 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -2 | 4 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
3108 | 209745 | None | 64 | Human | Functional | pAC50 | = | 5.7 | 5.7 | 1 | 7 | ChEMBL | 504 | 12 | 4 | 12 | -0.0 | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL932 | 209745 | None | 64 | Human | Functional | pAC50 | = | 5.7 | 5.7 | 1 | 7 | ChEMBL | 504 | 12 | 4 | 12 | -0.0 | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | 10.1038/s41467-023-40064-9 | |||
13789 | 38388 | None | 45 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 340 | 0 | 0 | 3 | 4.4 | C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1463345 | 38388 | None | 45 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 340 | 0 | 0 | 3 | 4.4 | C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 | 10.1038/s41467-023-40064-9 | |||
26987 | 949 | None | 27 | Human | Functional | pAC50 | = | 6.7 | 6.7 | -204 | 34 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
26987.0 | 949 | None | 27 | Human | Functional | pAC50 | = | 6.7 | 6.7 | -204 | 34 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
6063 | 949 | None | 27 | Human | Functional | pAC50 | = | 6.7 | 6.7 | -204 | 34 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
671 | 949 | None | 27 | Human | Functional | pAC50 | = | 6.7 | 6.7 | -204 | 34 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1626 | 949 | None | 27 | Human | Functional | pAC50 | = | 6.7 | 6.7 | -204 | 34 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
DB00283 | 949 | None | 27 | Human | Functional | pAC50 | = | 6.7 | 6.7 | -204 | 34 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
213046 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -173 | 17 | 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 | |||
213046.0 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -173 | 17 | 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 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -173 | 17 | 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 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -173 | 17 | 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 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -173 | 17 | 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 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -173 | 17 | 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 | |||
43815 | 187026 | None | 38 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -10 | 20 | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1708 | 187026 | None | 38 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -10 | 20 | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL490 | 187026 | None | 38 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -10 | 20 | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
3081361 | 93987 | None | 66 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -33 | 14 | 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 | 93987 | None | 66 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -33 | 14 | ChEMBL | 474 | 5 | 1 | 5 | 4.4 | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | 10.1038/s41467-023-40064-9 | |||
100 | 3805 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -89 | 38 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
2637 | 3805 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -89 | 38 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
5452 | 3805 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -89 | 38 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL479 | 3805 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -89 | 38 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
DB00679 | 3805 | None | 44 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -89 | 38 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
1056 | 3371 | None | 67 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -39 | 10 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
2405 | 3371 | None | 67 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -39 | 10 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
77999 | 3371 | None | 67 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -39 | 10 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL121 | 3371 | None | 67 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -39 | 10 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
DB00412 | 3371 | None | 67 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -39 | 10 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
60753 | 194796 | None | 31 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -6 | 6 | ChEMBL | 384 | 14 | 2 | 4 | 4.2 | CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL533 | 194796 | None | 31 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -6 | 6 | ChEMBL | 384 | 14 | 2 | 4 | 4.2 | CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | |||
187 | 255 | None | 24 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
187.0 | 255 | None | 24 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
294 | 255 | None | 24 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
65 | 255 | None | 24 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
8593 | 255 | None | 24 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL667 | 255 | None | 24 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
DB03128 | 255 | None | 24 | Human | Functional | pAC50 | = | 7.7 | 7.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
2131 | 57423 | None | 16 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -3 | 7 | 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 | 57423 | None | 16 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -3 | 7 | 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 | |||
3236 | 67630 | None | 28 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -2 | 7 | ChEMBL | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1902981 | 67630 | None | 28 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -2 | 7 | ChEMBL | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
4832 | 55436 | None | 14 | Human | Functional | pAC50 | = | 7.6 | 7.6 | -1 | 4 | ChEMBL | 354 | 5 | 1 | 3 | 3.1 | CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1619528 | 55436 | None | 14 | Human | Functional | pAC50 | = | 7.6 | 7.6 | -1 | 4 | ChEMBL | 354 | 5 | 1 | 3 | 3.1 | CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 | 10.1038/s41467-023-40064-9 | |||
2705 | 3842 | None | 44 | Human | Functional | pAC50 | = | 7.6 | 7.6 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
360 | 3842 | None | 44 | Human | Functional | pAC50 | = | 7.6 | 7.6 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
443879 | 3842 | None | 44 | Human | Functional | pAC50 | = | 7.6 | 7.6 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
443879.0 | 3842 | None | 44 | Human | Functional | pAC50 | = | 7.6 | 7.6 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1382 | 3842 | None | 44 | Human | Functional | pAC50 | = | 7.6 | 7.6 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
DB01036 | 3842 | None | 44 | Human | Functional | pAC50 | = | 7.6 | 7.6 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
124 | 2981 | None | 32 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -11481 | 24 | 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 | 2981 | None | 32 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -11481 | 24 | 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 | 2981 | None | 32 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -11481 | 24 | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
4636.0 | 2981 | None | 32 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -11481 | 24 | 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 | 2981 | None | 32 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -11481 | 24 | 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 | 2981 | None | 32 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -11481 | 24 | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
2402 | 3370 | None | 38 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -851 | 17 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
5095 | 3370 | None | 38 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -851 | 17 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
5095.0 | 3370 | None | 38 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -851 | 17 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
7295 | 3370 | None | 38 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -851 | 17 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL589 | 3370 | None | 38 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -851 | 17 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
DB00268 | 3370 | None | 38 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -851 | 17 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
10184653 | 11001 | None | 62 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -26 | 4 | ChEMBL | 485 | 8 | 2 | 7 | 4.4 | CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1173655 | 11001 | None | 62 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -26 | 4 | ChEMBL | 485 | 8 | 2 | 7 | 4.4 | CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | 10.1038/s41467-023-40064-9 | |||
127151 | 35339 | None | 12 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -2 | 7 | ChEMBL | 313 | 6 | 1 | 4 | 3.2 | CCOc1ccccc1OC(c1ccccc1)C1CNCCO1 | 10.1038/s41467-023-40064-9 | |||
3022645 | 35339 | None | 12 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -2 | 7 | ChEMBL | 313 | 6 | 1 | 4 | 3.2 | CCOc1ccccc1OC(c1ccccc1)C1CNCCO1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL14370 | 35339 | None | 12 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -2 | 7 | ChEMBL | 313 | 6 | 1 | 4 | 3.2 | CCOc1ccccc1OC(c1ccccc1)C1CNCCO1 | 10.1038/s41467-023-40064-9 | |||
19675 | 51685 | None | 37 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1862 | 15 | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1584 | 51685 | None | 37 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1862 | 15 | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
3949 | 100668 | None | 35 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -25 | 16 | 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 | 100668 | None | 35 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -25 | 16 | 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 | |||
54697325 | 58996 | None | 30 | Human | Functional | pAC50 | = | 4.6 | 4.6 | 2 | 7 | ChEMBL | 556 | 6 | 6 | 10 | 1.3 | CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1689772 | 58996 | None | 30 | Human | Functional | pAC50 | = | 4.6 | 4.6 | 2 | 7 | ChEMBL | 556 | 6 | 6 | 10 | 1.3 | CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O | 10.1038/s41467-023-40064-9 | |||
25382 | 9159 | None | 27 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -6 | 21 | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL110094 | 9159 | None | 27 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -6 | 21 | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
3158 | 56283 | None | 21 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -891 | 28 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
3158.0 | 56283 | None | 21 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -891 | 28 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1628227 | 56283 | None | 21 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -891 | 28 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB01142 | 56283 | None | 21 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -891 | 28 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
1210 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
1213 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
2725 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
33036 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
33036.0 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
4411 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
616 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
6976 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
716121 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201353 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1554789 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL505 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
DB01114 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
DB13679 | 918 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -1047 | 22 | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
5833 | 30492 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -2 | 4 | ChEMBL | 416 | 1 | 0 | 5 | 4.9 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1393 | 30492 | None | 42 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -2 | 4 | ChEMBL | 416 | 1 | 0 | 5 | 4.9 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 | 10.1038/s41467-023-40064-9 | |||
2165 | 206241 | None | 47 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -17 | 8 | ChEMBL | 355 | 6 | 2 | 4 | 5.2 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O | 10.1038/s41467-023-40064-9 | |||
3647519 | 206241 | None | 47 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -17 | 8 | ChEMBL | 355 | 6 | 2 | 4 | 5.2 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O | 10.1038/s41467-023-40064-9 | |||
CHEMBL682 | 206241 | None | 47 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -17 | 8 | ChEMBL | 355 | 6 | 2 | 4 | 5.2 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O | 10.1038/s41467-023-40064-9 | |||
2564 | 208642 | None | 37 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -239 | 4 | ChEMBL | 290 | 6 | 0 | 3 | 3.4 | CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL864 | 208642 | None | 37 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -239 | 4 | ChEMBL | 290 | 6 | 0 | 3 | 3.4 | CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
16363 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -501 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
16363.0 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -501 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
312 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -501 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
9215 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -501 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL297302 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -501 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB12867 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -501 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
10133 | 910 | None | 49 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 4 | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | |||
145714624 | 910 | None | 49 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 4 | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | |||
4361 | 910 | None | 49 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 4 | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | |||
608 | 910 | None | 49 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 4 | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL240597 | 910 | None | 49 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 4 | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | |||
DB06777 | 910 | None | 49 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 4 | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | |||
60606 | 61580 | None | 50 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -13 | 8 | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
60606.0 | 61580 | None | 50 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -13 | 8 | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1771 | 61580 | None | 50 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -13 | 8 | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
DB00758 | 61580 | None | 50 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -13 | 8 | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
2726 | 919 | None | 48 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -794 | 42 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2726.0 | 919 | None | 48 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -794 | 42 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
621 | 919 | None | 48 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -794 | 42 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
83 | 919 | None | 48 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -794 | 42 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL71 | 919 | None | 48 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -794 | 42 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB00477 | 919 | None | 48 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -794 | 42 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2333 | 142422 | None | 66 | Human | Functional | pAC50 | = | 5.6 | 5.6 | 1 | 14 | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL388590 | 142422 | None | 66 | Human | Functional | pAC50 | = | 5.6 | 5.6 | 1 | 14 | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | |||
2895 | 206050 | None | 27 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -38 | 15 | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
2895.0 | 206050 | None | 27 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -38 | 15 | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL669 | 206050 | None | 27 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -38 | 15 | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB00924 | 206050 | None | 27 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -38 | 15 | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
31101 | 729 | None | 28 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -10232 | 29 | 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 | |||
31101.0 | 729 | None | 28 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -10232 | 29 | 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 | 729 | None | 28 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -10232 | 29 | 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 | 729 | None | 28 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -10232 | 29 | 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 | 729 | None | 28 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -10232 | 29 | 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 | 729 | None | 28 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -10232 | 29 | 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 | |||
131411 | 15398 | None | 50 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -10 | 10 | 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 | 15398 | None | 50 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -10 | 10 | 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 | 15398 | None | 50 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -10 | 10 | 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 | |||
5591 | 157623 | None | 57 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -13 | 17 | 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 | 157623 | None | 57 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -13 | 17 | 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 | |||
2905 | 14504 | None | 36 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -10 | 3 | ChEMBL | 291 | 6 | 1 | 4 | 2.2 | CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1 | 10.1038/s41467-023-40064-9 | |||
2905.0 | 14504 | None | 36 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -10 | 3 | ChEMBL | 291 | 6 | 1 | 4 | 2.2 | CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201338 | 14504 | None | 36 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -10 | 3 | ChEMBL | 291 | 6 | 1 | 4 | 2.2 | CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1 | 10.1038/s41467-023-40064-9 | |||
DB00979 | 14504 | None | 36 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -10 | 3 | ChEMBL | 291 | 6 | 1 | 4 | 2.2 | CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1 | 10.1038/s41467-023-40064-9 | |||
8612 | 11264 | None | 26 | Human | Functional | pAC50 | = | 4.5 | 4.5 | -7 | 4 | ChEMBL | 270 | 6 | 1 | 4 | 2.4 | CCN(CC)CCOC(=O)c1ccc(N)cc1Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL1179047 | 11264 | None | 26 | Human | Functional | pAC50 | = | 4.5 | 4.5 | -7 | 4 | ChEMBL | 270 | 6 | 1 | 4 | 2.4 | CCN(CC)CCOC(=O)c1ccc(N)cc1Cl | 10.1038/s41467-023-40064-9 | |||
2381 | 663 | None | 30 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -25 | 5 | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
2381.0 | 663 | None | 30 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -25 | 5 | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
374 | 663 | None | 30 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -25 | 5 | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
7128 | 663 | None | 30 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -25 | 5 | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1101 | 663 | None | 30 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -25 | 5 | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB00810 | 663 | None | 30 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -25 | 5 | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
123603 | 883 | None | 21 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -22 | 5 | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1038/s41467-023-40064-9 | |||
2684 | 883 | None | 21 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -22 | 5 | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1038/s41467-023-40064-9 | |||
2684.0 | 883 | None | 21 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -22 | 5 | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1038/s41467-023-40064-9 | |||
584 | 883 | None | 21 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -22 | 5 | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1038/s41467-023-40064-9 | |||
9658 | 883 | None | 21 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -22 | 5 | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL168815 | 883 | None | 21 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -22 | 5 | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1038/s41467-023-40064-9 | |||
DB00185 | 883 | None | 21 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -22 | 5 | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1038/s41467-023-40064-9 | |||
23480 | 124157 | None | 21 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -4 | 7 | ChEMBL | 281 | 5 | 1 | 1 | 5.0 | CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL363295 | 124157 | None | 21 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -4 | 7 | ChEMBL | 281 | 5 | 1 | 1 | 5.0 | CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C | 10.1038/s41467-023-40064-9 | |||
2286 | 3183 | None | 36 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -19 | 28 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927 | 3183 | None | 36 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -19 | 28 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927.0 | 3183 | None | 36 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -19 | 28 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
7282 | 3183 | None | 36 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -19 | 28 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL643 | 3183 | None | 36 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -19 | 28 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
DB01069 | 3183 | None | 36 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -19 | 28 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
2551 | 794 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
2551.0 | 794 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
298 | 794 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
488 | 794 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
DB00411 | 794 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
4942 | 5720 | None | 27 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -4 | 11 | ChEMBL | 367 | 7 | 0 | 4 | 4.0 | CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4942.0 | 5720 | None | 27 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -4 | 11 | ChEMBL | 367 | 7 | 0 | 4 | 4.0 | CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1078261 | 5720 | None | 27 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -4 | 11 | ChEMBL | 367 | 7 | 0 | 4 | 4.0 | CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB12278 | 5720 | None | 27 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -4 | 11 | ChEMBL | 367 | 7 | 0 | 4 | 4.0 | CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
135398745 | 2914 | None | 65 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 33 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
135398745.0 | 2914 | None | 65 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 33 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
47 | 2914 | None | 65 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 33 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL715 | 2914 | None | 65 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 33 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00334 | 2914 | None | 65 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 33 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
2166 | 3123 | None | 33 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
305 | 3123 | None | 33 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
5910 | 3123 | None | 33 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
5910.0 | 3123 | None | 33 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL550 | 3123 | None | 33 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
DB01085 | 3123 | None | 33 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
2370 | 623 | None | 23 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -19 | 3 | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1038/s41467-023-40064-9 | |||
2370.0 | 623 | None | 23 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -19 | 3 | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1038/s41467-023-40064-9 | |||
297 | 623 | None | 23 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -19 | 3 | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1038/s41467-023-40064-9 | |||
358 | 623 | None | 23 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -19 | 3 | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL1482 | 623 | None | 23 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -19 | 3 | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1038/s41467-023-40064-9 | |||
DB01019 | 623 | None | 23 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -19 | 3 | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1038/s41467-023-40064-9 | |||
319 | 1324 | None | 32 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -436 | 18 | 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 | 1324 | None | 32 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -436 | 18 | 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 | 1324 | None | 32 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -436 | 18 | 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 | |||
444031.0 | 1324 | None | 32 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -436 | 18 | 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 | 1324 | None | 32 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -436 | 18 | 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 | 1324 | None | 32 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -436 | 18 | 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 | 1324 | None | 32 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -436 | 18 | 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 | |||
6450551 | 19218 | None | 60 | Human | Functional | pAC50 | = | 5.4 | 5.4 | 1 | 3 | ChEMBL | 386 | 5 | 2 | 4 | 4.6 | CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1289926 | 19218 | None | 60 | Human | Functional | pAC50 | = | 5.4 | 5.4 | 1 | 3 | ChEMBL | 386 | 5 | 2 | 4 | 4.6 | CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 | 10.1038/s41467-023-40064-9 | |||
1427 | 2013 | None | 42 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -1778 | 30 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
357 | 2013 | None | 42 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -1778 | 30 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
3696 | 2013 | None | 42 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -1778 | 30 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL11 | 2013 | None | 42 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -1778 | 30 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00458 | 2013 | None | 42 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -1778 | 30 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2200 | 3131 | None | 31 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
328 | 3131 | None | 31 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
4848 | 3131 | None | 31 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
4848.0 | 3131 | None | 31 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL9967 | 3131 | None | 31 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
DB00670 | 3131 | None | 31 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
2540 | 4402 | None | 68 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -660 | 28 | 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 | 4402 | None | 68 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -660 | 28 | 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 | |||
124087 | 1389 | None | 72 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -2 | 27 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
124087.0 | 1389 | None | 72 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -2 | 27 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
7157 | 1389 | None | 72 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -2 | 27 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
814 | 1389 | None | 72 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -2 | 27 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1172 | 1389 | None | 72 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -2 | 27 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
DB00967 | 1389 | None | 72 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -2 | 27 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
2995 | 206863 | None | 31 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -1737 | 18 | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
2995.0 | 206863 | None | 31 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -1737 | 18 | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1696 | 206863 | None | 31 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -1737 | 18 | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL72 | 206863 | None | 31 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -1737 | 18 | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB01151 | 206863 | None | 31 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -1737 | 18 | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
4746 | 207349 | None | 24 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -4 | 19 | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1334033 | 207349 | None | 24 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -4 | 19 | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL75880 | 207349 | None | 24 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -4 | 19 | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
11504295 | 2923 | None | 40 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -38904 | 8 | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | |||
11504295.0 | 2923 | None | 40 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -38904 | 8 | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | |||
4814 | 2923 | None | 40 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -38904 | 8 | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | |||
7543 | 2923 | None | 40 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -38904 | 8 | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL605846 | 2923 | None | 40 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -38904 | 8 | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | |||
DB09080 | 2923 | None | 40 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -38904 | 8 | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | |||
2583 | 3776 | None | 69 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -2884 | 16 | 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 | 3776 | None | 69 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -2884 | 16 | 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 | 3776 | None | 69 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -2884 | 16 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
65999.0 | 3776 | None | 69 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -2884 | 16 | 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 | 3776 | None | 69 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -2884 | 16 | 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 | 3776 | None | 69 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -2884 | 16 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
103 | 4153 | None | 44 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -489 | 22 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2875 | 4153 | None | 44 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -489 | 22 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
5736 | 4153 | None | 44 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -489 | 22 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL285802 | 4153 | None | 44 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -489 | 22 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB09225 | 4153 | None | 44 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -489 | 22 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
1224 | 1432 | None | 51 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -575 | 22 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
3100 | 1432 | None | 51 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -575 | 22 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
3100.0 | 1432 | None | 51 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -575 | 22 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
8980 | 1432 | None | 51 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -575 | 22 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
916 | 1432 | None | 51 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -575 | 22 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL657 | 1432 | None | 51 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -575 | 22 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
DB01075 | 1432 | None | 51 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -575 | 22 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
5453 | 206077 | None | 58 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -13 | 14 | ChEMBL | 189 | 3 | 0 | 1 | 0.2 | S=P(N1CC1)(N1CC1)N1CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL671 | 206077 | None | 58 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -13 | 14 | ChEMBL | 189 | 3 | 0 | 1 | 0.2 | S=P(N1CC1)(N1CC1)N1CC1 | 10.1038/s41467-023-40064-9 | |||
3652 | 4097 | None | 50 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
57 | 4097 | None | 50 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
60809 | 4097 | None | 50 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
60809.0 | 4097 | None | 50 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL21536 | 4097 | None | 50 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
DB15357 | 4097 | None | 50 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
135 | 2532 | None | 33 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -1047 | 33 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
1796 | 2532 | None | 33 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -1047 | 33 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
4184 | 2532 | None | 33 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -1047 | 33 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
4184.0 | 2532 | None | 33 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -1047 | 33 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL6437 | 2532 | None | 33 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -1047 | 33 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
DB06148 | 2532 | None | 33 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -1047 | 33 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
5284632 | 67423 | None | 10 | Human | Functional | pAC50 | = | 8.2 | 8.2 | -1 | 4 | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
5284632.0 | 67423 | None | 10 | Human | Functional | pAC50 | = | 8.2 | 8.2 | -1 | 4 | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1888176 | 67423 | None | 10 | Human | Functional | pAC50 | = | 8.2 | 8.2 | -1 | 4 | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3084748 | 67423 | None | 10 | Human | Functional | pAC50 | = | 8.2 | 8.2 | -1 | 4 | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00209 | 67423 | None | 10 | Human | Functional | pAC50 | = | 8.2 | 8.2 | -1 | 4 | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
154417 | 23189 | None | 39 | Human | Functional | pAC50 | = | 8.2 | 8.2 | -2 | 7 | 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 | 23189 | None | 39 | Human | Functional | pAC50 | = | 8.2 | 8.2 | -2 | 7 | 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 | |||
2470 | 3653 | None | 40 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -100000 | 23 | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
3300 | 3653 | None | 40 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -100000 | 23 | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
5265 | 3653 | None | 40 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -100000 | 23 | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
99 | 3653 | None | 40 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -100000 | 23 | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL267930 | 3653 | None | 40 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -100000 | 23 | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
71496458 | 115628 | None | 61 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -1 | 16 | 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 | 115628 | None | 61 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -1 | 16 | 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 | |||
657202 | 12534 | None | 3 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -17 | 4 | ChEMBL | 282 | 6 | 0 | 2 | 3.5 | CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1186610 | 12534 | None | 3 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -17 | 4 | ChEMBL | 282 | 6 | 0 | 2 | 3.5 | CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C | 10.1038/s41467-023-40064-9 | |||
54682461 | 84720 | None | 41 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -1 | 12 | 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 | 84720 | None | 41 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -1 | 12 | 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 | |||
154257 | 178724 | None | 43 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -42 | 19 | 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 | 178724 | None | 43 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -42 | 19 | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
1385580 | 29284 | None | 49 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -776 | 19 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
4615 | 29284 | None | 49 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -776 | 19 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
4615.0 | 29284 | None | 49 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -776 | 19 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL13828 | 29284 | None | 49 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -776 | 19 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
DB12877 | 29284 | None | 49 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -776 | 19 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
16351 | 102785 | None | 36 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -309 | 17 | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
16351.0 | 102785 | None | 36 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -309 | 17 | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL304902 | 102785 | None | 36 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -309 | 17 | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
DB13256 | 102785 | None | 36 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -309 | 17 | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
4066 | 207084 | None | 54 | Human | Functional | pAC50 | = | 7.2 | 7.2 | -4 | 16 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
4066.0 | 207084 | None | 54 | Human | Functional | pAC50 | = | 7.2 | 7.2 | -4 | 16 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL73451 | 207084 | None | 54 | Human | Functional | pAC50 | = | 7.2 | 7.2 | -4 | 16 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
DB01071 | 207084 | None | 54 | Human | Functional | pAC50 | = | 7.2 | 7.2 | -4 | 16 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
4642 | 42000 | None | 22 | Human | Functional | pAC50 | = | 7.2 | 7.2 | -2 | 3 | ChEMBL | 344 | 5 | 1 | 5 | 2.7 | CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
4642.0 | 42000 | None | 22 | Human | Functional | pAC50 | = | 7.2 | 7.2 | -2 | 3 | ChEMBL | 344 | 5 | 1 | 5 | 2.7 | CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1495 | 42000 | None | 22 | Human | Functional | pAC50 | = | 7.2 | 7.2 | -2 | 3 | ChEMBL | 344 | 5 | 1 | 5 | 2.7 | CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB00383 | 42000 | None | 22 | Human | Functional | pAC50 | = | 7.2 | 7.2 | -2 | 3 | ChEMBL | 344 | 5 | 1 | 5 | 2.7 | CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
2774 | 3868 | None | 59 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -19 | 5 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
5593 | 3868 | None | 59 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -19 | 5 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
5593.0 | 3868 | None | 59 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -19 | 5 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
7319 | 3868 | None | 59 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -19 | 5 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1200604 | 3868 | None | 59 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -19 | 5 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
DB00809 | 3868 | None | 59 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -19 | 5 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
DB01199 | 3868 | None | 59 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -19 | 5 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
135398737 | 958 | None | 57 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -229 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
135398737.0 | 958 | None | 57 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -229 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
38 | 958 | None | 57 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -229 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
722 | 958 | None | 57 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -229 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL42 | 958 | None | 57 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -229 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00363 | 958 | None | 57 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -229 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
24826799 | 10802 | None | 64 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -24 | 20 | 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 | 10802 | None | 64 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -24 | 20 | 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 | |||
19861 | 209982 | None | 33 | Human | Functional | pAC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 290 | 0 | 0 | 2 | 3.7 | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1038/s41467-023-40064-9 | |||
19861.0 | 209982 | None | 33 | Human | Functional | pAC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 290 | 0 | 0 | 2 | 3.7 | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL946 | 209982 | None | 33 | Human | Functional | pAC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 290 | 0 | 0 | 2 | 3.7 | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1038/s41467-023-40064-9 | |||
DB00719 | 209982 | None | 33 | Human | Functional | pAC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 290 | 0 | 0 | 2 | 3.7 | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1038/s41467-023-40064-9 | |||
4150 | 788 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -123 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
5288 | 788 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -123 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
644019 | 788 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -123 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
644019.0 | 788 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -123 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL190461 | 788 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -123 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
DB09061 | 788 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -123 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
3294 | 2006 | None | 61 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -4466 | 23 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
71360 | 2006 | None | 61 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -4466 | 23 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
71360.0 | 2006 | None | 61 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -4466 | 23 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
87 | 2006 | None | 61 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -4466 | 23 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL14376 | 2006 | None | 61 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -4466 | 23 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
DB04946 | 2006 | None | 61 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -4466 | 23 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
2337 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -177 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
50 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -177 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -177 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002.0 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -177 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL716 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -177 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB01224 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -177 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
3042 | 1414 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -263 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
3042.0 | 1414 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -263 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
355 | 1414 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -263 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
868 | 1414 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -263 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
CHEMBL1123 | 1414 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -263 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
DB00804 | 1414 | None | 26 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -263 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
1201549 | 597 | None | 17 | Human | Functional | pAC50 | = | 7.0 | 7.0 | -26 | 26 | 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 | |||
1201549.0 | 597 | None | 17 | Human | Functional | pAC50 | = | 7.0 | 7.0 | -26 | 26 | 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 | 597 | None | 17 | Human | Functional | pAC50 | = | 7.0 | 7.0 | -26 | 26 | 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 | 597 | None | 17 | Human | Functional | pAC50 | = | 7.0 | 7.0 | -26 | 26 | 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 | 597 | None | 17 | Human | Functional | pAC50 | = | 7.0 | 7.0 | -26 | 26 | 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 | 597 | None | 17 | Human | Functional | pAC50 | = | 7.0 | 7.0 | -26 | 26 | 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 | 597 | None | 17 | Human | Functional | pAC50 | = | 7.0 | 7.0 | -26 | 26 | 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 | |||
24821094 | 67115 | None | 58 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -4 | 8 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1873475 | 67115 | None | 58 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -4 | 8 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
636403 | 188375 | None | 19 | Human | Functional | pAC50 | = | 5 | 5.0 | -3 | 7 | ChEMBL | 570 | 5 | 2 | 5 | 6.8 | CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL499915 | 188375 | None | 19 | Human | Functional | pAC50 | = | 5 | 5.0 | -3 | 7 | ChEMBL | 570 | 5 | 2 | 5 | 6.8 | CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | |||
2267 | 559 | None | 45 | Human | Functional | pAC50 | = | 5 | 5.0 | -416 | 14 | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
2267.0 | 559 | None | 45 | Human | Functional | pAC50 | = | 5 | 5.0 | -416 | 14 | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
271 | 559 | None | 45 | Human | Functional | pAC50 | = | 5 | 5.0 | -416 | 14 | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
7121 | 559 | None | 45 | Human | Functional | pAC50 | = | 5 | 5.0 | -416 | 14 | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL639 | 559 | None | 45 | Human | Functional | pAC50 | = | 5 | 5.0 | -416 | 14 | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00972 | 559 | None | 45 | Human | Functional | pAC50 | = | 5 | 5.0 | -416 | 14 | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
129456 | 209630 | None | 12 | Human | Functional | pEC50 | = | 10.4 | 10.4 | 8 | 2 | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | |||
CHEMBL92421 | 209630 | None | 12 | Human | Functional | pEC50 | = | 10.4 | 10.4 | 8 | 2 | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | |||
10104167 | 2059 | None | 2 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -1 | 3 | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
6937 | 2059 | None | 2 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -1 | 3 | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL3121473 | 2059 | None | 2 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -1 | 3 | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
42599070 | 16085 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | -251 | 5 | ChEMBL | 370 | 4 | 0 | 3 | 4.1 | CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223804 | 16085 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | -251 | 5 | ChEMBL | 370 | 4 | 0 | 3 | 4.1 | CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
137630848 | 161210 | None | 0 | Human | Functional | pEC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4061390 | 161210 | None | 0 | Human | Functional | pEC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4117131 | 161210 | None | 0 | Human | Functional | pEC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | |||
10386 | 161262 | None | 12 | Human | Functional | pEC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4092348 | 161262 | None | 12 | Human | Functional | pEC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4117554 | 161262 | None | 12 | Human | Functional | pEC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | |||
2230 | 465 | None | 43 | Human | Functional | pEC50 | = | 5 | 5.0 | 1 | 9 | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | |||
296 | 465 | None | 43 | Human | Functional | pEC50 | = | 5 | 5.0 | 1 | 9 | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL7303 | 465 | None | 43 | Human | Functional | pEC50 | = | 5 | 5.0 | 1 | 9 | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | |||
DB04365 | 465 | None | 43 | Human | Functional | pEC50 | = | 5 | 5.0 | 1 | 9 | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | |||
2551 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | |||
2551.0 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | |||
298 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | |||
488 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | |||
DB00411 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | |||
49799920 | 10545 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -6 | 2 | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL1169506 | 10545 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -6 | 2 | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
11120503 | 4196 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -16 | 2 | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL100163 | 4196 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -16 | 2 | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
137629935 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4060823 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4116342 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
44329977 | 111473 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -10 | 2 | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL327269 | 111473 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -10 | 2 | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(98)00509-5 | |||
44589681 | 185394 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 5 | ChEMBL | 387 | 5 | 2 | 6 | 1.5 | NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | |||
CHEMBL485913 | 185394 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 5 | ChEMBL | 387 | 5 | 2 | 6 | 1.5 | NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | |||
22745278 | 187169 | None | 1 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -5 | 5 | ChEMBL | 372 | 3 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | |||
CHEMBL491209 | 187169 | None | 1 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -5 | 5 | ChEMBL | 372 | 3 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | |||
2551 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | |||
2551.0 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | |||
298 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | |||
488 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | |||
DB00411 | 794 | None | 13 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | |||
10104047 | 21644 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | |||
CHEMBL131777 | 21644 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | |||
137629935 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4060823 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4116342 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
122191002 | 123679 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -1 | 3 | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccccc1F | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3618445 | 123679 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -1 | 3 | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccccc1F | 10.1016/j.bmcl.2015.08.011 | |||
170332 | 161070 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4091934 | 161070 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4115997 | 161070 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
3652 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | |||
57 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | |||
60809 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | |||
60809.0 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL21536 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | |||
DB15357 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | |||
44303017 | 203289 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -19 | 2 | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | |||
CHEMBL60101 | 203289 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -19 | 2 | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | |||
42598829 | 16087 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -158 | 5 | ChEMBL | 358 | 3 | 0 | 5 | 3.9 | CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223806 | 16087 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -158 | 5 | ChEMBL | 358 | 3 | 0 | 5 | 3.9 | CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
45786849 | 157897 | None | 29 | Human | Functional | pEC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 192 | 3 | 1 | 3 | 1.4 | c1cncc(COC2CCCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4083241 | 157897 | None | 29 | Human | Functional | pEC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 192 | 3 | 1 | 3 | 1.4 | c1cncc(COC2CCCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | |||
44330073 | 210889 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 327 | 3 | 0 | 5 | 3.1 | C(#Cc1ccccc1)CSc1nsnc1[C@@H]1CN2CC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL99884 | 210889 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 327 | 3 | 0 | 5 | 3.1 | C(#Cc1ccccc1)CSc1nsnc1[C@@H]1CN2CC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
44209166 | 59575 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 7 | 2 | ChEMBL | 193 | 1 | 0 | 4 | 1.0 | Cc1noc(C2(C)CN3CCC2C3)n1 | 10.1021/jm00083a016 | |||
CHEMBL171721 | 59575 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 7 | 2 | ChEMBL | 193 | 1 | 0 | 4 | 1.0 | Cc1noc(C2(C)CN3CCC2C3)n1 | 10.1021/jm00083a016 | |||
44303408 | 204403 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -16 | 3 | ChEMBL | 361 | 3 | 0 | 5 | 2.6 | Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
CHEMBL60777 | 204403 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -16 | 3 | ChEMBL | 361 | 3 | 0 | 5 | 2.6 | Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
10451242 | 205572 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -218 | 3 | ChEMBL | 361 | 3 | 0 | 5 | 2.8 | Fc1cc(F)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
CHEMBL64029 | 205572 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -218 | 3 | ChEMBL | 361 | 3 | 0 | 5 | 2.8 | Fc1cc(F)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
122189496 | 123403 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 3 | ChEMBL | 499 | 5 | 2 | 3 | 5.4 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3616500 | 123403 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 3 | ChEMBL | 499 | 5 | 2 | 3 | 5.4 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
89777356 | 155972 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -72 | 2 | ChEMBL | 353 | 3 | 2 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | |||
CHEMBL4060475 | 155972 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -72 | 2 | ChEMBL | 353 | 3 | 2 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | |||
53385782 | 74339 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -56 | 3 | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | |||
CHEMBL2024331 | 74339 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -56 | 3 | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | |||
424727 | 161268 | None | 0 | Human | Functional | pEC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 180 | 3 | 0 | 1 | 1.9 | COc1ccccc1C[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4095774 | 161268 | None | 0 | Human | Functional | pEC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 180 | 3 | 0 | 1 | 1.9 | COc1ccccc1C[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4117601 | 161268 | None | 0 | Human | Functional | pEC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 180 | 3 | 0 | 1 | 1.9 | COc1ccccc1C[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
129456 | 209630 | None | 12 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 8 | 2 | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | |||
CHEMBL92421 | 209630 | None | 12 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 8 | 2 | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | |||
24967746 | 16062 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -50 | 5 | ChEMBL | 403 | 5 | 1 | 4 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223754 | 16062 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -50 | 5 | ChEMBL | 403 | 5 | 1 | 4 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
9820835 | 116839 | None | 3 | Human | Functional | pEC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 179 | 2 | 1 | 5 | 0.1 | CCn1nnc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | |||
CHEMBL337676 | 116839 | None | 3 | Human | Functional | pEC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 179 | 2 | 1 | 5 | 0.1 | CCn1nnc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | |||
9927975 | 4190 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -10 | 2 | ChEMBL | 341 | 3 | 0 | 5 | 3.5 | C(#Cc1ccccc1)CSc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL100147 | 4190 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -10 | 2 | ChEMBL | 341 | 3 | 0 | 5 | 3.5 | C(#Cc1ccccc1)CSc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
156246205 | 195343 | None | 2 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -32 | 3 | ChEMBL | 384 | 4 | 0 | 4 | 2.9 | COc1ccccc1C1CCN(C2CCC3(C2)CN(C(=O)C2COC2)C3)CC1 | 10.1021/acsmedchemlett.3c00331 | |||
CHEMBL5401679 | 195343 | None | 2 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -32 | 3 | ChEMBL | 384 | 4 | 0 | 4 | 2.9 | COc1ccccc1C1CCN(C2CCC3(C2)CN(C(=O)C2COC2)C3)CC1 | 10.1021/acsmedchemlett.3c00331 | |||
156246132 | 196237 | None | 3 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -32 | 3 | ChEMBL | 398 | 5 | 0 | 4 | 3.3 | CCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)C2COC2)C3)CC1 | 10.1021/acsmedchemlett.3c00331 | |||
CHEMBL5419462 | 196237 | None | 3 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -32 | 3 | ChEMBL | 398 | 5 | 0 | 4 | 3.3 | CCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)C2COC2)C3)CC1 | 10.1021/acsmedchemlett.3c00331 | |||
145973726 | 164725 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -36 | 2 | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | |||
CHEMBL4216213 | 164725 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -36 | 2 | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | |||
137629935 | 161114 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4060823 | 161114 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4116342 | 161114 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
122191003 | 123680 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -1 | 2 | ChEMBL | 509 | 6 | 3 | 3 | 4.9 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3618446 | 123680 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -1 | 2 | ChEMBL | 509 | 6 | 3 | 3 | 4.9 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
137635723 | 156174 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -2 | 2 | ChEMBL | 411 | 3 | 2 | 9 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4nc5cccnc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | |||
CHEMBL4062934 | 156174 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -2 | 2 | ChEMBL | 411 | 3 | 2 | 9 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4nc5cccnc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | |||
187 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | |||
187.0 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | |||
294 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | |||
65 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | |||
8593 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | |||
CHEMBL667 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | |||
DB03128 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | |||
187 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | |||
187.0 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | |||
294 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | |||
65 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | |||
8593 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | |||
CHEMBL667 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | |||
DB03128 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | |||
137630667 | 161186 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4100938 | 161186 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4116890 | 161186 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | |||
57230548 | 173336 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL4524085 | 173336 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
44330080 | 107776 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -8 | 2 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL319109 | 107776 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -8 | 2 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
44303018 | 204480 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -218 | 3 | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
CHEMBL60833 | 204480 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -218 | 3 | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
137631026 | 161244 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4093215 | 161244 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4117321 | 161244 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | |||
137628799 | 161087 | None | 0 | Human | Functional | pEC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4064668 | 161087 | None | 0 | Human | Functional | pEC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4116150 | 161087 | None | 0 | Human | Functional | pEC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
122189499 | 123404 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 3 | 3 | ChEMBL | 441 | 3 | 2 | 3 | 4.0 | CN1CCCC/C1=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3616504 | 123404 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 3 | 3 | ChEMBL | 441 | 3 | 2 | 3 | 4.0 | CN1CCCC/C1=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 | 10.1016/j.bmcl.2015.08.011 | |||
10686494 | 100592 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -16 | 3 | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL291351 | 100592 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -16 | 3 | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1016/s0960-894x(98)00509-5 | |||
10686494 | 100592 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -16 | 3 | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1021/jm9910019 | |||
CHEMBL291351 | 100592 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -16 | 3 | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1021/jm9910019 | |||
122191007 | 123683 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 1 | 3 | ChEMBL | 449 | 5 | 2 | 3 | 4.5 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3618449 | 123683 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 1 | 3 | ChEMBL | 449 | 5 | 2 | 3 | 4.5 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
42598357 | 16112 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -794 | 5 | ChEMBL | 383 | 4 | 0 | 6 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223863 | 16112 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -794 | 5 | ChEMBL | 383 | 4 | 0 | 6 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
42598359 | 16113 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -199 | 5 | ChEMBL | 436 | 5 | 0 | 7 | 3.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223864 | 16113 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -199 | 5 | ChEMBL | 436 | 5 | 0 | 7 | 3.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
25207745 | 16133 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -251 | 5 | ChEMBL | 413 | 6 | 0 | 7 | 3.5 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223941 | 16133 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -251 | 5 | ChEMBL | 413 | 6 | 0 | 7 | 3.5 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
89777060 | 157213 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -114 | 2 | ChEMBL | 397 | 3 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | |||
CHEMBL4074908 | 157213 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -114 | 2 | ChEMBL | 397 | 3 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | |||
5487543 | 208104 | None | 2 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -162 | 6 | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm9910019 | |||
CHEMBL81878 | 208104 | None | 2 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -162 | 6 | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm9910019 | |||
11725107 | 100667 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -134 | 3 | ChEMBL | 345 | 3 | 0 | 5 | 2.1 | Fc1cc(F)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
CHEMBL291872 | 100667 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -134 | 3 | ChEMBL | 345 | 3 | 0 | 5 | 2.1 | Fc1cc(F)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
137629887 | 161104 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4065555 | 161104 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4116259 | 161104 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | |||
10375002 | 24154 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 178 | 2 | 1 | 4 | 0.7 | CCn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | |||
CHEMBL133905 | 24154 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 178 | 2 | 1 | 4 | 0.7 | CCn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | |||
44158142 | 188777 | None | 42 | Rat | Functional | pEC50 | = | 5.6 | 5.6 | -1 | 4 | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1016/j.bmcl.2009.11.089 | |||
CHEMBL503735 | 188777 | None | 42 | Rat | Functional | pEC50 | = | 5.6 | 5.6 | -1 | 4 | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1016/j.bmcl.2009.11.089 | |||
5487543 | 208104 | None | 2 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -162 | 6 | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL81878 | 208104 | None | 2 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -162 | 6 | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1016/s0960-894x(98)00509-5 | |||
650899 | 54430 | None | 6 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -10 | 5 | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | |||
CHEMBL1535797 | 54430 | None | 6 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -10 | 5 | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | |||
CHEMBL1609153 | 54430 | None | 6 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -10 | 5 | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | |||
44158142 | 188777 | None | 42 | Rat | Functional | pEC50 | = | 5.6 | 5.6 | -1 | 4 | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1021/jm900286j | |||
CHEMBL503735 | 188777 | None | 42 | Rat | Functional | pEC50 | = | 5.6 | 5.6 | -1 | 4 | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1021/jm900286j | |||
57088082 | 173337 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL4524086 | 173337 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
53414666 | 159395 | None | 3 | Human | Functional | pEC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 192 | 4 | 1 | 3 | 1.2 | c1cncc(COCC2CCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4099673 | 159395 | None | 3 | Human | Functional | pEC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 192 | 4 | 1 | 3 | 1.2 | c1cncc(COCC2CCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | |||
178030 | 21378 | None | 26 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 193 | 2 | 0 | 5 | 0.4 | CCn1nnc(C2=CCCN(C)C2)n1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL131428 | 21378 | None | 26 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 193 | 2 | 0 | 5 | 0.4 | CCn1nnc(C2=CCCN(C)C2)n1 | 10.1016/j.bmcl.2015.08.011 | |||
129456 | 209630 | None | 12 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 8 | 2 | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | |||
CHEMBL92421 | 209630 | None | 12 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 8 | 2 | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | |||
156246105 | 195266 | None | 3 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -18 | 4 | ChEMBL | 402 | 4 | 0 | 4 | 3.0 | COc1ccc(F)cc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)C2COC2)C3)CC1 | 10.1021/acsmedchemlett.3c00331 | |||
CHEMBL5399732 | 195266 | None | 3 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -18 | 4 | ChEMBL | 402 | 4 | 0 | 4 | 3.0 | COc1ccc(F)cc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)C2COC2)C3)CC1 | 10.1021/acsmedchemlett.3c00331 | |||
137629935 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4060823 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4116342 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
137629935 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4060823 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4116342 | 161114 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -1 | 3 | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | |||
122191006 | 123682 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 2 | ChEMBL | 523 | 6 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)CCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3618448 | 123682 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 2 | ChEMBL | 523 | 6 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)CCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
3652 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | |||
57 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | |||
60809 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | |||
60809.0 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | |||
CHEMBL21536 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | |||
DB15357 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | |||
42598360 | 16111 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -158 | 5 | ChEMBL | 388 | 5 | 0 | 6 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223862 | 16111 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -158 | 5 | ChEMBL | 388 | 5 | 0 | 6 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
87934 | 98134 | None | 15 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00050a006 | |||
CHEMBL273308 | 98134 | None | 15 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00050a006 | |||
CHEMBL542883 | 98134 | None | 15 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00050a006 | |||
122191004 | 123400 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | 1 | 3 | ChEMBL | 521 | 7 | 3 | 4 | 4.7 | COc1ccc(CCN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3616497 | 123400 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | 1 | 3 | ChEMBL | 521 | 7 | 3 | 4 | 4.7 | COc1ccc(CCN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
122191001 | 123678 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -9 | 3 | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1cccc(F)c1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3618444 | 123678 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -9 | 3 | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1cccc(F)c1 | 10.1016/j.bmcl.2015.08.011 | |||
187 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
187.0 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
294 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
65 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
8593 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL667 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
DB03128 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
647412 | 27327 | None | 5 | Human | Functional | pEC50 | = | 4.3 | 4.3 | -3 | 4 | ChEMBL | 325 | 6 | 2 | 5 | 1.7 | CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 | nan | |||
CHEMBL1367424 | 27327 | None | 5 | Human | Functional | pEC50 | = | 4.3 | 4.3 | -3 | 4 | ChEMBL | 325 | 6 | 2 | 5 | 1.7 | CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 | nan | |||
187 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
187.0 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
294 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
65 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
8593 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL667 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
DB03128 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
137639541 | 156795 | None | 0 | Human | Functional | pEC50 | = | 4.3 | 4.3 | - | 1 | ChEMBL | 206 | 3 | 0 | 3 | 1.7 | CN1CCCC(OCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4070061 | 156795 | None | 0 | Human | Functional | pEC50 | = | 4.3 | 4.3 | - | 1 | ChEMBL | 206 | 3 | 0 | 3 | 1.7 | CN1CCCC(OCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | |||
42598358 | 16109 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -501 | 5 | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223860 | 16109 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -501 | 5 | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
187 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
187.0 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
294 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
65 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
8593 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL667 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
DB03128 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
187 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
187.0 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
294 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
65 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
8593 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL667 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
DB03128 | 255 | None | 24 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
44303293 | 203883 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | 1 | 3 | ChEMBL | 393 | 3 | 0 | 5 | 3.8 | Clc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
CHEMBL60479 | 203883 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | 1 | 3 | ChEMBL | 393 | 3 | 0 | 5 | 3.8 | Clc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
53382542 | 86347 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -7 | 6 | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | |||
CHEMBL2313377 | 86347 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -7 | 6 | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | |||
187 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
187.0 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
294 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
65 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
8593 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL667 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
DB03128 | 255 | None | 24 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
122191005 | 123681 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -3 | 3 | ChEMBL | 509 | 5 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3618447 | 123681 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -3 | 3 | ChEMBL | 509 | 5 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
2551 | 794 | None | 13 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
2551.0 | 794 | None | 13 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
298 | 794 | None | 13 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
488 | 794 | None | 13 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
DB00411 | 794 | None | 13 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
10426487 | 2841 | None | 7 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -3 | 2 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 10.1016/s0960-894x(98)00509-5 | |||
291 | 2841 | None | 7 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -3 | 2 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL99521 | 2841 | None | 7 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -3 | 2 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 10.1016/s0960-894x(98)00509-5 | |||
306 | 3456 | None | 17 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 5 | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | |||
3536 | 3456 | None | 17 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 5 | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | |||
53930639 | 3456 | None | 17 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 5 | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | |||
9577995 | 3456 | None | 17 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 5 | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL134641 | 3456 | None | 17 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 5 | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | |||
42598591 | 16084 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -125 | 5 | ChEMBL | 384 | 5 | 0 | 3 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223803 | 16084 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -125 | 5 | ChEMBL | 384 | 5 | 0 | 3 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
42599068 | 16086 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -199 | 5 | ChEMBL | 356 | 3 | 0 | 3 | 3.7 | CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223805 | 16086 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -199 | 5 | ChEMBL | 356 | 3 | 0 | 3 | 3.7 | CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
25230693 | 16132 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -251 | 5 | ChEMBL | 402 | 6 | 0 | 6 | 3.9 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223940 | 16132 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -251 | 5 | ChEMBL | 402 | 6 | 0 | 6 | 3.9 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
16071018 | 16061 | None | 16 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -112 | 5 | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | |||
CHEMBL1223753 | 16061 | None | 16 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -112 | 5 | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | |||
16038385 | 80489 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -10 | 3 | ChEMBL | 301 | 2 | 1 | 4 | 2.1 | O=c1[nH]c2ccccc2n1C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | |||
CHEMBL2146598 | 80489 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -10 | 3 | ChEMBL | 301 | 2 | 1 | 4 | 2.1 | O=c1[nH]c2ccccc2n1C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | |||
16123945 | 80490 | None | 10 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -125 | 5 | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | |||
CHEMBL2146599 | 80490 | None | 10 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -125 | 5 | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | |||
170332 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4091934 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4115997 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
2166 | 3123 | None | 33 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | |||
305 | 3123 | None | 33 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | |||
5910 | 3123 | None | 33 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | |||
5910.0 | 3123 | None | 33 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL550 | 3123 | None | 33 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | |||
DB01085 | 3123 | None | 33 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -28 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | |||
170332 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4091934 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4115997 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
122189495 | 123402 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 3 | ChEMBL | 445 | 5 | 2 | 3 | 4.7 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3616499 | 123402 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 3 | ChEMBL | 445 | 5 | 2 | 3 | 4.7 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
122191008 | 123684 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -2 | 3 | ChEMBL | 465 | 5 | 2 | 3 | 5.0 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3618450 | 123684 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -2 | 3 | ChEMBL | 465 | 5 | 2 | 3 | 5.0 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
44303397 | 102343 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -75 | 3 | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
CHEMBL303360 | 102343 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -75 | 3 | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
10104047 | 21644 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | |||
CHEMBL131777 | 21644 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | |||
10019339 | 102681 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -138 | 3 | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
CHEMBL304247 | 102681 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -138 | 3 | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
5441 | 2426 | None | 12 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -30 | 3 | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | |||
9893054 | 2426 | None | 12 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -30 | 3 | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3616501 | 2426 | None | 12 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -30 | 3 | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | |||
187 | 255 | None | 24 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | |||
187.0 | 255 | None | 24 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | |||
294 | 255 | None | 24 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | |||
65 | 255 | None | 24 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | |||
8593 | 255 | None | 24 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL667 | 255 | None | 24 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | |||
DB03128 | 255 | None | 24 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 8 | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | |||
2551 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | |||
2551.0 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | |||
298 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | |||
488 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | |||
DB00411 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | |||
2551 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | |||
2551.0 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | |||
298 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | |||
488 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | |||
DB00411 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | |||
59654579 | 123674 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 3 | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3618440 | 123674 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 3 | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
122190994 | 123671 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -14 | 3 | ChEMBL | 481 | 4 | 3 | 3 | 5.1 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL3618436 | 123671 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -14 | 3 | ChEMBL | 481 | 4 | 3 | 3 | 5.1 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | |||
44303294 | 203613 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -16 | 3 | ChEMBL | 377 | 3 | 0 | 5 | 3.3 | Fc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
CHEMBL60331 | 203613 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -16 | 3 | ChEMBL | 377 | 3 | 0 | 5 | 3.3 | Fc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
3652 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | |||
57 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | |||
60809 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | |||
60809.0 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | |||
CHEMBL21536 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | |||
DB15357 | 4097 | None | 50 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -30 | 15 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | |||
170332 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4091934 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4115997 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
44303286 | 203775 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -48 | 3 | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | |||
CHEMBL60419 | 203775 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -48 | 3 | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | |||
44303286 | 203775 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -48 | 3 | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL60419 | 203775 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -48 | 3 | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1016/s0960-894x(98)00509-5 | |||
170332 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4091934 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4115997 | 161070 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -2 | 3 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | |||
44253016 | 80488 | None | 1 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -6 | 4 | ChEMBL | 299 | 2 | 1 | 3 | 3.3 | O=c1[nH]c2ccccc2n1C1CCN(C2CCCCC2)CC1 | 10.1021/ml100105x | |||
CHEMBL2146597 | 80488 | None | 1 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -6 | 4 | ChEMBL | 299 | 2 | 1 | 3 | 3.3 | O=c1[nH]c2ccccc2n1C1CCN(C2CCCCC2)CC1 | 10.1021/ml100105x | |||
44303019 | 101000 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -79 | 3 | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | |||
CHEMBL294082 | 101000 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -79 | 3 | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | |||
16071018 | 16061 | None | 16 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -112 | 5 | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223753 | 16061 | None | 16 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -112 | 5 | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
42598828 | 16110 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -630 | 5 | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223861 | 16110 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -630 | 5 | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
42599071 | 16131 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -316 | 5 | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
CHEMBL1223939 | 16131 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -316 | 5 | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | |||
9883040 | 100591 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -7 | 3 | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | |||
CHEMBL291339 | 100591 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -7 | 3 | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | |||
CHEMBL542622 | 100591 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -7 | 3 | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | |||
44303396 | 203693 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 1 | 3 | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | |||
CHEMBL60374 | 203693 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 1 | 3 | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | |||
118500 | 157091 | None | 38 | Human | Functional | pEC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 165 | 4 | 1 | 2 | 1.5 | CNCCc1cccc(OC)c1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4073256 | 157091 | None | 38 | Human | Functional | pEC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 165 | 4 | 1 | 2 | 1.5 | CNCCc1cccc(OC)c1 | 10.1021/acs.jmedchem.7b01113 | |||
44303323 | 163337 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -18 | 3 | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | |||
CHEMBL418491 | 163337 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -18 | 3 | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | |||
10104047 | 21644 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | |||
CHEMBL131777 | 21644 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | |||
71792 | 78437 | None | 32 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -2 | 5 | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | |||
CHEMBL2111051 | 78437 | None | 32 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -2 | 5 | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | |||
44303327 | 163106 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -31 | 3 | ChEMBL | 325 | 3 | 0 | 5 | 2.5 | C(#Cc1ccccc1)CSc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | |||
CHEMBL417560 | 163106 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -31 | 3 | ChEMBL | 325 | 3 | 0 | 5 | 2.5 | C(#Cc1ccccc1)CSc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | |||
2551 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
2551.0 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
298 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
488 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
DB00411 | 794 | None | 13 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
44330081 | 210622 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -17 | 2 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
CHEMBL98255 | 210622 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -17 | 2 | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | |||
44303314 | 100987 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -363 | 3 | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
CHEMBL293982 | 100987 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -363 | 3 | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | |||
137629744 | 161269 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4071109 | 161269 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4117602 | 161269 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | |||
644390 | 40425 | None | 2 | Human | Functional | pEC50 | = | 4.0 | 4.0 | -3 | 4 | ChEMBL | 353 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 | nan | |||
CHEMBL1482157 | 40425 | None | 2 | Human | Functional | pEC50 | = | 4.0 | 4.0 | -3 | 4 | ChEMBL | 353 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 | nan | |||
25010776 | 55971 | None | 1 | Human | Functional | pEC50 | = | 4.0 | 4.0 | -44 | 5 | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | |||
CHEMBL1559151 | 55971 | None | 1 | Human | Functional | pEC50 | = | 4.0 | 4.0 | -44 | 5 | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | |||
CHEMBL1624037 | 55971 | None | 1 | Human | Functional | pEC50 | = | 4.0 | 4.0 | -44 | 5 | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | |||
137646732 | 157884 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -12 | 2 | ChEMBL | 422 | 3 | 2 | 7 | 2.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | |||
CHEMBL4083081 | 157884 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -12 | 2 | ChEMBL | 422 | 3 | 2 | 7 | 2.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | |||
75356563 | 157049 | None | 24 | Human | Functional | pEC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 184 | 3 | 1 | 4 | 1.0 | c1csc(COC2CCNC2)n1 | 10.1021/acs.jmedchem.7b01113 | |||
CHEMBL4072787 | 157049 | None | 24 | Human | Functional | pEC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 184 | 3 | 1 | 4 | 1.0 | c1csc(COC2CCNC2)n1 | 10.1021/acs.jmedchem.7b01113 | |||
44372610 | 52559 | None | 0 | Human | Functional | pED50 | = | 9.1 | 9.1 | 181 | 2 | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | |||
CHEMBL159208 | 52559 | None | 0 | Human | Functional | pED50 | = | 9.1 | 9.1 | 181 | 2 | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | |||
44372301 | 49816 | None | 0 | Human | Functional | pED50 | = | 8.7 | 8.7 | 40 | 2 | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | |||
CHEMBL156749 | 49816 | None | 0 | Human | Functional | pED50 | = | 8.7 | 8.7 | 40 | 2 | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | |||
44372633 | 50322 | None | 0 | Human | Functional | pED50 | = | 8.0 | 8.0 | -1 | 2 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL157197 | 50322 | None | 0 | Human | Functional | pED50 | = | 8.0 | 8.0 | -1 | 2 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | |||
44372232 | 119884 | None | 0 | Human | Functional | pED50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL348412 | 119884 | None | 0 | Human | Functional | pED50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
10058744 | 208840 | None | 0 | Human | Functional | pED50 | = | 8.0 | 8.0 | 1 | 2 | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL87622 | 208840 | None | 0 | Human | Functional | pED50 | = | 8.0 | 8.0 | 1 | 2 | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
44372253 | 50024 | None | 0 | Human | Functional | pED50 | = | 7.9 | 7.9 | 21 | 2 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2/CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL156925 | 50024 | None | 0 | Human | Functional | pED50 | = | 7.9 | 7.9 | 21 | 2 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2/CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | |||
9795428 | 96541 | None | 4 | Human | Functional | pED50 | = | 5.9 | 5.9 | -30 | 5 | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | |||
CHEMBL262455 | 96541 | None | 4 | Human | Functional | pED50 | = | 5.9 | 5.9 | -30 | 5 | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | |||
5487543 | 208104 | None | 2 | Human | Functional | pED50 | = | 5.9 | 5.9 | -162 | 6 | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | |||
CHEMBL81878 | 208104 | None | 2 | Human | Functional | pED50 | = | 5.9 | 5.9 | -162 | 6 | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | |||
10266025 | 120230 | None | 0 | Human | Functional | pED50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL351561 | 120230 | None | 0 | Human | Functional | pED50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
44372580 | 119845 | None | 0 | Human | Functional | pED50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL348079 | 119845 | None | 0 | Human | Functional | pED50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
44372492 | 155814 | None | 0 | Human | Functional | pED50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 314 | 3 | 0 | 3 | 3.3 | C/C(C#Cc1ccc(Cl)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL405426 | 155814 | None | 0 | Human | Functional | pED50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 314 | 3 | 0 | 3 | 3.3 | C/C(C#Cc1ccc(Cl)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
2551 | 794 | None | 13 | Human | Functional | pED50 | = | 7.6 | 7.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | |||
2551.0 | 794 | None | 13 | Human | Functional | pED50 | = | 7.6 | 7.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | |||
298 | 794 | None | 13 | Human | Functional | pED50 | = | 7.6 | 7.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | |||
488 | 794 | None | 13 | Human | Functional | pED50 | = | 7.6 | 7.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pED50 | = | 7.6 | 7.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | |||
DB00411 | 794 | None | 13 | Human | Functional | pED50 | = | 7.6 | 7.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | |||
10420458 | 208726 | None | 0 | Human | Functional | pED50 | = | 7.6 | 7.6 | 7 | 2 | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL86903 | 208726 | None | 0 | Human | Functional | pED50 | = | 7.6 | 7.6 | 7 | 2 | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
44372591 | 54361 | None | 0 | Human | Functional | pED50 | = | 7.6 | 7.6 | -60 | 2 | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL160858 | 54361 | None | 0 | Human | Functional | pED50 | = | 7.6 | 7.6 | -60 | 2 | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
44372290 | 54467 | None | 0 | Human | Functional | pED50 | = | 6.6 | 6.6 | -5 | 2 | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL160939 | 54467 | None | 0 | Human | Functional | pED50 | = | 6.6 | 6.6 | -5 | 2 | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
2551 | 794 | None | 13 | Human | Functional | pED50 | = | 6.6 | 6.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
2551.0 | 794 | None | 13 | Human | Functional | pED50 | = | 6.6 | 6.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
298 | 794 | None | 13 | Human | Functional | pED50 | = | 6.6 | 6.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
488 | 794 | None | 13 | Human | Functional | pED50 | = | 6.6 | 6.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pED50 | = | 6.6 | 6.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
DB00411 | 794 | None | 13 | Human | Functional | pED50 | = | 6.6 | 6.6 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | |||
44372254 | 53982 | None | 0 | Human | Functional | pED50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL160554 | 53982 | None | 0 | Human | Functional | pED50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | |||
10086044 | 48992 | None | 0 | Human | Functional | pED50 | = | 8.5 | 8.5 | 6 | 2 | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL156050 | 48992 | None | 0 | Human | Functional | pED50 | = | 8.5 | 8.5 | 6 | 2 | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
9903828 | 119557 | None | 0 | Human | Functional | pED50 | = | 8.4 | 8.4 | 28 | 2 | ChEMBL | 280 | 3 | 0 | 3 | 2.7 | C/C(C#Cc1ccccc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL345415 | 119557 | None | 0 | Human | Functional | pED50 | = | 8.4 | 8.4 | 28 | 2 | ChEMBL | 280 | 3 | 0 | 3 | 2.7 | C/C(C#Cc1ccccc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
44372506 | 119533 | None | 0 | Human | Functional | pED50 | = | 8.4 | 8.4 | 19 | 2 | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL345205 | 119533 | None | 0 | Human | Functional | pED50 | = | 8.4 | 8.4 | 19 | 2 | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
44372278 | 49424 | None | 0 | Human | Functional | pED50 | = | 8.4 | 8.4 | 11 | 2 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL156445 | 49424 | None | 0 | Human | Functional | pED50 | = | 8.4 | 8.4 | 11 | 2 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | |||
44372277 | 168466 | None | 0 | Human | Functional | pED50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL434469 | 168466 | None | 0 | Human | Functional | pED50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | |||
10242016 | 168402 | None | 0 | Human | Functional | pED50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL434072 | 168402 | None | 0 | Human | Functional | pED50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
44372289 | 119540 | None | 0 | Human | Functional | pED50 | = | 6.3 | 6.3 | -2 | 2 | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL345250 | 119540 | None | 0 | Human | Functional | pED50 | = | 6.3 | 6.3 | -2 | 2 | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
44213237 | 101976 | None | 0 | Human | Functional | pED50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | |||
CHEMBL300998 | 101976 | None | 0 | Human | Functional | pED50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | |||
44372647 | 120084 | None | 0 | Human | Functional | pED50 | = | 8.1 | 8.1 | -1 | 2 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL350223 | 120084 | None | 0 | Human | Functional | pED50 | = | 8.1 | 8.1 | -1 | 2 | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | |||
44371814 | 51414 | None | 0 | Human | Functional | pED50 | = | 8.0 | 8.0 | 3 | 2 | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL158180 | 51414 | None | 0 | Human | Functional | pED50 | = | 8.0 | 8.0 | 3 | 2 | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
44372452 | 119687 | None | 0 | Human | Functional | pED50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 348 | 3 | 0 | 3 | 4.0 | C/C(C#Cc1ccc(Cl)c(Cl)c1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
CHEMBL346580 | 119687 | None | 0 | Human | Functional | pED50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 348 | 3 | 0 | 3 | 4.0 | C/C(C#Cc1ccc(Cl)c(Cl)c1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | |||
9913341 | 82189 | None | 4 | Human | Functional | pIC50 | = | 9.3 | 9.3 | 28 | 3 | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
CHEMBL216927 | 82189 | None | 4 | Human | Functional | pIC50 | = | 9.3 | 9.3 | 28 | 3 | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
CHEMBL553058 | 82189 | None | 4 | Human | Functional | pIC50 | = | 9.3 | 9.3 | 28 | 3 | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
44590172 | 170421 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | 1 | 3 | ChEMBL | 591 | 10 | 3 | 6 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL444688 | 170421 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | 1 | 3 | ChEMBL | 591 | 10 | 3 | 6 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL527216 | 170421 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | 1 | 3 | ChEMBL | 591 | 10 | 3 | 6 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590171 | 178853 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | 1 | 3 | ChEMBL | 587 | 10 | 3 | 6 | 4.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL468609 | 178853 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | 1 | 3 | ChEMBL | 587 | 10 | 3 | 6 | 4.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL554632 | 178853 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | 1 | 3 | ChEMBL | 587 | 10 | 3 | 6 | 4.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590176 | 189174 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | 3 | 3 | ChEMBL | 641 | 10 | 3 | 6 | 4.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL509614 | 189174 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | 3 | 3 | ChEMBL | 641 | 10 | 3 | 6 | 4.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL555707 | 189174 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | 3 | 3 | ChEMBL | 641 | 10 | 3 | 6 | 4.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
155566290 | 176685 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
CHEMBL4582879 | 176685 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
CHEMBL4597498 | 176685 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
11690968 | 106557 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085072 | 106557 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140185 | 106557 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
44590179 | 172820 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | 1 | 3 | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL450538 | 172820 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | 1 | 3 | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL553446 | 172820 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | 1 | 3 | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590167 | 179130 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | -3 | 3 | ChEMBL | 494 | 10 | 4 | 6 | 2.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL471214 | 179130 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | -3 | 3 | ChEMBL | 494 | 10 | 4 | 6 | 2.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44589495 | 186086 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | -10 | 3 | ChEMBL | 560 | 11 | 5 | 7 | 3.8 | CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL486982 | 186086 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | -10 | 3 | ChEMBL | 560 | 11 | 5 | 7 | 3.8 | CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590122 | 192669 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | -15 | 3 | ChEMBL | 555 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(C#N)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL521244 | 192669 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | -15 | 3 | ChEMBL | 555 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(C#N)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
16125400 | 84697 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 494 | 6 | 1 | 2 | 4.5 | C[N+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | |||
CHEMBL222449 | 84697 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 494 | 6 | 1 | 2 | 4.5 | C[N+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | |||
76313456 | 106565 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | -1 | 3 | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085066 | 106565 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | -1 | 3 | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140216 | 106565 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | -1 | 3 | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | |||
162675053 | 183364 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 300 | 5 | 1 | 3 | 3.2 | O=C(CCN1CCCc2ccccc21)NCc1cccs1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4796491 | 183364 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 300 | 5 | 1 | 3 | 3.2 | O=C(CCN1CCCc2ccccc21)NCc1cccs1 | 10.1016/j.bmcl.2020.127632 | |||
71455968 | 83960 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 3 | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206599 | 83960 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 3 | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
10397133 | 107118 | None | 1 | Human | Functional | pIC50 | = | 6.0 | 6.0 | 1 | 3 | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL315676 | 107118 | None | 1 | Human | Functional | pIC50 | = | 6.0 | 6.0 | 1 | 3 | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
71716773 | 86600 | None | 0 | Rat | Functional | pIC50 | = | 6.0 | 6.0 | 2 | 2 | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
CHEMBL2315680 | 86600 | None | 0 | Rat | Functional | pIC50 | = | 6.0 | 6.0 | 2 | 2 | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
162353372 | 181493 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 302 | 4 | 1 | 3 | 2.2 | O=C(CCN1CCCc2ccccc21)N1CCCCC1CO | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4763422 | 181493 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 302 | 4 | 1 | 3 | 2.2 | O=C(CCN1CCCc2ccccc21)N1CCCCC1CO | 10.1016/j.bmcl.2020.127632 | |||
71463135 | 83968 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 3 | ChEMBL | 607 | 12 | 4 | 5 | 5.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206607 | 83968 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 3 | ChEMBL | 607 | 12 | 4 | 5 | 5.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
71716773 | 86600 | None | 0 | Rat | Functional | pIC50 | = | 6.0 | 6.0 | 2 | 2 | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
CHEMBL2315680 | 86600 | None | 0 | Rat | Functional | pIC50 | = | 6.0 | 6.0 | 2 | 2 | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
109018479 | 181924 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 284 | 5 | 1 | 3 | 2.7 | O=C(CCN1CCCc2ccccc21)NCc1ccco1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4778178 | 181924 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 284 | 5 | 1 | 3 | 2.7 | O=C(CCN1CCCc2ccccc21)NCc1ccco1 | 10.1016/j.bmcl.2020.127632 | |||
76327901 | 103550 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | 1 | 3 | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085084 | 103550 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | 1 | 3 | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | |||
44233675 | 103433 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -11 | 3 | ChEMBL | 381 | 5 | 0 | 1 | 6.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084639 | 103433 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -11 | 3 | ChEMBL | 381 | 5 | 0 | 1 | 6.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
11518068 | 106562 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -5 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085059 | 106562 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -5 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140213 | 106562 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -5 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
44590180 | 172749 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 1 | 3 | ChEMBL | 641 | 10 | 3 | 6 | 5.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL449640 | 172749 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 1 | 3 | ChEMBL | 641 | 10 | 3 | 6 | 5.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL540398 | 172749 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 1 | 3 | ChEMBL | 641 | 10 | 3 | 6 | 5.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590175 | 188739 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 3 | 3 | ChEMBL | 598 | 10 | 3 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL503025 | 188739 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 3 | 3 | ChEMBL | 598 | 10 | 3 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL553433 | 188739 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 3 | 3 | ChEMBL | 598 | 10 | 3 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
52176747 | 159123 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -2 | 8 | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | |||
CHEMBL4096727 | 159123 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -2 | 8 | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | |||
162353379 | 181068 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 244 | 3 | 0 | 2 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4758449 | 181068 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 244 | 3 | 0 | 2 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCC1 | 10.1016/j.bmcl.2020.127632 | |||
25034111 | 193527 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -7 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | |||
CHEMBL526009 | 193527 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -7 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | |||
44590123 | 183966 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -15 | 3 | ChEMBL | 564 | 10 | 4 | 6 | 4.3 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(Cl)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL480877 | 183966 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -15 | 3 | ChEMBL | 564 | 10 | 4 | 6 | 4.3 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(Cl)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
25034111 | 193527 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -7 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL526009 | 193527 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -7 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44589497 | 175397 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -5 | 2 | ChEMBL | 574 | 11 | 5 | 7 | 4.0 | CC(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL457302 | 175397 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -5 | 2 | ChEMBL | 574 | 11 | 5 | 7 | 4.0 | CC(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44233417 | 86080 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL2307674 | 86080 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
10092649 | 193182 | None | 43 | Rat | Functional | pIC50 | = | 5.9 | 5.9 | -16 | 11 | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
CHEMBL522460 | 193182 | None | 43 | Rat | Functional | pIC50 | = | 5.9 | 5.9 | -16 | 11 | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
10092649 | 193182 | None | 43 | Rat | Functional | pIC50 | = | 5.9 | 5.9 | -16 | 11 | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
CHEMBL522460 | 193182 | None | 43 | Rat | Functional | pIC50 | = | 5.9 | 5.9 | -16 | 11 | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
290 | 2473 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -21 | 5 | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | |||
4022 | 2473 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -21 | 5 | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | |||
5926 | 2473 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -21 | 5 | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL40554 | 2473 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -21 | 5 | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL74300 | 2473 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -21 | 5 | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | |||
71450616 | 83967 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -2 | 3 | ChEMBL | 591 | 11 | 4 | 5 | 4.9 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)C23CC4CC(CC(C4)C2)C3)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206606 | 83967 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -2 | 3 | ChEMBL | 591 | 11 | 4 | 5 | 4.9 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)C23CC4CC(CC(C4)C2)C3)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
11503336 | 106570 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -5 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085071 | 106570 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -5 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140242 | 106570 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -5 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
76309756 | 103549 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 375 | 4 | 0 | 4 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085083 | 103549 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 375 | 4 | 0 | 4 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
76313457 | 103546 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085080 | 103546 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | |||
13940563 | 208488 | None | 1 | Rat | Functional | pIC50 | = | 5.9 | 5.9 | 5 | 2 | ChEMBL | 182 | 2 | 0 | 3 | -0.3 | CN(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | |||
CHEMBL8510 | 208488 | None | 1 | Rat | Functional | pIC50 | = | 5.9 | 5.9 | 5 | 2 | ChEMBL | 182 | 2 | 0 | 3 | -0.3 | CN(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | |||
162353393 | 179545 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 312 | 5 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4740422 | 179545 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 312 | 5 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1 | 10.1016/j.bmcl.2020.127632 | |||
16664965 | 84936 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 462 | 6 | 1 | 1 | 4.7 | C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | |||
CHEMBL223668 | 84936 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 462 | 6 | 1 | 1 | 4.7 | C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | |||
76320693 | 103548 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085082 | 103548 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
109035013 | 180581 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 314 | 4 | 1 | 2 | 4.1 | O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4752973 | 180581 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 314 | 4 | 1 | 2 | 4.1 | O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127632 | |||
76309755 | 103544 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085079 | 103544 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
76320692 | 106564 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -5 | 3 | ChEMBL | 390 | 4 | 0 | 3 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085065 | 106564 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -5 | 3 | ChEMBL | 390 | 4 | 0 | 3 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140215 | 106564 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -5 | 3 | ChEMBL | 390 | 4 | 0 | 3 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
71459691 | 83966 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 5 | 3 | ChEMBL | 723 | 14 | 4 | 5 | 8.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206605 | 83966 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 5 | 3 | ChEMBL | 723 | 14 | 4 | 5 | 8.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
44590170 | 188478 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 1 | 3 | ChEMBL | 588 | 10 | 4 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL501348 | 188478 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 1 | 3 | ChEMBL | 588 | 10 | 4 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL553431 | 188478 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 1 | 3 | ChEMBL | 588 | 10 | 4 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
109032820 | 182981 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4791819 | 182981 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | |||
162353369 | 180901 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4756442 | 180901 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1 | 10.1016/j.bmcl.2020.127632 | |||
44232953 | 103446 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -1 | 3 | ChEMBL | 405 | 7 | 2 | 2 | 4.6 | CCNC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084663 | 103446 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -1 | 3 | ChEMBL | 405 | 7 | 2 | 2 | 4.6 | CCNC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | |||
15681301 | 120384 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 178 | 3 | 0 | 3 | 0.7 | C#CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL352832 | 120384 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 178 | 3 | 0 | 3 | 0.7 | C#CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
15945874 | 188873 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -7 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | |||
CHEMBL505452 | 188873 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -7 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | |||
15945874 | 188873 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -7 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL505452 | 188873 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -7 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44589984 | 190667 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -7 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL518001 | 190667 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -7 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590035 | 191863 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -3 | 3 | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3OC)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL519760 | 191863 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -3 | 3 | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3OC)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
25034180 | 188519 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 1 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | |||
CHEMBL502000 | 188519 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 1 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | |||
44589571 | 172690 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -10 | 2 | ChEMBL | 580 | 11 | 5 | 6 | 3.5 | N#Cc1ccc(CN2CCC(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)NCC4CC4)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL448904 | 172690 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -10 | 2 | ChEMBL | 580 | 11 | 5 | 6 | 3.5 | N#Cc1ccc(CN2CCC(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)NCC4CC4)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44589570 | 172860 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -15 | 2 | ChEMBL | 568 | 10 | 5 | 6 | 3.5 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(C#N)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL451040 | 172860 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -15 | 2 | ChEMBL | 568 | 10 | 5 | 6 | 3.5 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(C#N)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
10465524 | 59013 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C=CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL169011 | 59013 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C=CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
137630050 | 161134 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4089543 | 161134 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4097258 | 161134 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4116470 | 161134 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
137408729 | 190851 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -870 | 2 | ChEMBL | 444 | 6 | 1 | 5 | 4.9 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | |||
CHEMBL5182783 | 190851 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -870 | 2 | ChEMBL | 444 | 6 | 1 | 5 | 4.9 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | |||
15681299 | 120543 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -1 | 2 | ChEMBL | 180 | 2 | 0 | 3 | 1.2 | C1CC(O/N=C2\CN3CCC2C3)C1 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL354259 | 120543 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -1 | 2 | ChEMBL | 180 | 2 | 0 | 3 | 1.2 | C1CC(O/N=C2\CN3CCC2C3)C1 | 10.1016/S0960-894X(00)80538-7 | |||
156015978 | 178428 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 1 | 2 | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4636899 | 178428 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 1 | 2 | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4651111 | 178428 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 1 | 2 | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
10397356 | 120780 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 1 | 3 | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | CC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL354738 | 120780 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 1 | 3 | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | CC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
137630050 | 161134 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4089543 | 161134 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4097258 | 161134 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4116470 | 161134 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
162353388 | 181085 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4758633 | 181085 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO | 10.1016/j.bmcl.2020.127632 | |||
71459689 | 83950 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | 1 | 3 | ChEMBL | 595 | 13 | 4 | 5 | 5.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206585 | 83950 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | 1 | 3 | ChEMBL | 595 | 13 | 4 | 5 | 5.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
168276820 | 190215 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -63 | 2 | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | |||
CHEMBL5172967 | 190215 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -63 | 2 | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | |||
CHEMBL5208649 | 190215 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -63 | 2 | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | |||
71454215 | 83959 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -3 | 3 | ChEMBL | 714 | 13 | 4 | 6 | 6.5 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2n(Cc3ccc(Cl)cc3)cc[n+]2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206595 | 83959 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -3 | 3 | ChEMBL | 714 | 13 | 4 | 6 | 6.5 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2n(Cc3ccc(Cl)cc3)cc[n+]2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
109013312 | 180240 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 258 | 3 | 0 | 2 | 2.5 | O=C(CCN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4748774 | 180240 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 258 | 3 | 0 | 2 | 2.5 | O=C(CCN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | |||
162658112 | 181177 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 393 | 2 | 0 | 5 | 4.0 | CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4759774 | 181177 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 393 | 2 | 0 | 5 | 4.0 | CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | |||
11602980 | 103557 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | -2 | 3 | ChEMBL | 362 | 4 | 0 | 5 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085091 | 103557 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | -2 | 3 | ChEMBL | 362 | 4 | 0 | 5 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
76324336 | 103552 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -1 | 3 | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085086 | 103552 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -1 | 3 | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | |||
162353384 | 181196 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC1CO | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4760037 | 181196 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC1CO | 10.1016/j.bmcl.2020.127632 | |||
71452455 | 83953 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -3 | 3 | ChEMBL | 565 | 9 | 3 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206588 | 83953 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -3 | 3 | ChEMBL | 565 | 9 | 3 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
44590125 | 183967 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -12 | 3 | ChEMBL | 530 | 10 | 4 | 6 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL480878 | 183967 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -12 | 3 | ChEMBL | 530 | 10 | 4 | 6 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590036 | 188484 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -6 | 3 | ChEMBL | 574 | 10 | 4 | 8 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL501419 | 188484 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -6 | 3 | ChEMBL | 574 | 10 | 4 | 8 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
152278786 | 182858 | None | 1 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -117 | 4 | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | |||
CHEMBL4790083 | 182858 | None | 1 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -117 | 4 | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | |||
162646559 | 179746 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -154 | 4 | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | |||
CHEMBL4742997 | 179746 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -154 | 4 | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | |||
25034112 | 188500 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -1 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | |||
CHEMBL501727 | 188500 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -1 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | |||
367 | 3824 | None | 10 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.6019/CHEMBL5442687 | |||
5487427 | 3824 | None | 10 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.6019/CHEMBL5442687 | |||
5487427.0 | 3824 | None | 10 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.6019/CHEMBL5442687 | |||
8592 | 3824 | None | 10 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.6019/CHEMBL5442687 | |||
CHEMBL1900528 | 3824 | None | 10 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.6019/CHEMBL5442687 | |||
CHEMBL3305968 | 3824 | None | 10 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.6019/CHEMBL5442687 | |||
CHEMBL4650755 | 3824 | None | 10 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.6019/CHEMBL5442687 | |||
DB01409 | 3824 | None | 10 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -3 | 8 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.6019/CHEMBL5442687 | |||
44589585 | 189000 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -1 | 3 | ChEMBL | 577 | 10 | 4 | 5 | 4.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL507375 | 189000 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -1 | 3 | ChEMBL | 577 | 10 | 4 | 5 | 4.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL555474 | 189000 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -1 | 3 | ChEMBL | 577 | 10 | 4 | 5 | 4.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590177 | 189030 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 3 | 3 | ChEMBL | 677 | 12 | 3 | 7 | 5.1 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL507874 | 189030 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 3 | 3 | ChEMBL | 677 | 12 | 3 | 7 | 5.1 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL554918 | 189030 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 3 | 3 | ChEMBL | 677 | 12 | 3 | 7 | 5.1 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
163938 | 106974 | None | 7 | Human | Functional | pIC50 | = | 7.7 | 7.7 | 316 | 2 | ChEMBL | 180 | 1 | 1 | 5 | 0.1 | Nc1noc(C2CN3CCC2C3)n1 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL314737 | 106974 | None | 7 | Human | Functional | pIC50 | = | 7.7 | 7.7 | 316 | 2 | ChEMBL | 180 | 1 | 1 | 5 | 0.1 | Nc1noc(C2CN3CCC2C3)n1 | 10.1016/S0960-894X(00)80538-7 | |||
152278786 | 182858 | None | 1 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -117 | 4 | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | |||
CHEMBL4790083 | 182858 | None | 1 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -117 | 4 | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | |||
162353375 | 180001 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 274 | 4 | 0 | 3 | 1.7 | COC1CN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4745885 | 180001 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 274 | 4 | 0 | 3 | 1.7 | COC1CN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | |||
10262405 | 57613 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -2 | 2 | ChEMBL | 206 | 3 | 0 | 3 | 1.5 | CCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL166782 | 57613 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -2 | 2 | ChEMBL | 206 | 3 | 0 | 3 | 1.5 | CCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
44234194 | 103451 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -1 | 3 | ChEMBL | 412 | 7 | 1 | 3 | 3.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084670 | 103451 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -1 | 3 | ChEMBL | 412 | 7 | 1 | 3 | 3.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
10262466 | 98397 | None | 0 | Rat | Functional | pIC50 | = | 6.7 | 6.7 | -10 | 2 | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | |||
CHEMBL275104 | 98397 | None | 0 | Rat | Functional | pIC50 | = | 6.7 | 6.7 | -10 | 2 | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | |||
76324335 | 103547 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -1 | 3 | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085081 | 103547 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -1 | 3 | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
10399393 | 208244 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 1 | 2 | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL83074 | 208244 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 1 | 2 | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
162658421 | 181207 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4760150 | 181207 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | |||
156015807 | 178404 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | 1 | 2 | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4641726 | 178404 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | 1 | 2 | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4650973 | 178404 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | 1 | 2 | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
76324334 | 106533 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -15 | 3 | ChEMBL | 369 | 4 | 0 | 3 | 4.5 | Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085070 | 106533 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -15 | 3 | ChEMBL | 369 | 4 | 0 | 3 | 4.5 | Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140112 | 106533 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -15 | 3 | ChEMBL | 369 | 4 | 0 | 3 | 4.5 | Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | |||
156015978 | 178428 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 1 | 2 | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4636899 | 178428 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 1 | 2 | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4651111 | 178428 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 1 | 2 | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
138578683 | 184909 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -1318 | 2 | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccccc1-c1ccc(N[C@H]2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)nn1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4851711 | 184909 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -1318 | 2 | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccccc1-c1ccc(N[C@H]2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)nn1 | 10.1021/acsmedchemlett.1c00363 | |||
44265375 | 208605 | None | 0 | Rat | Functional | pIC50 | = | 6.6 | 6.6 | -3 | 2 | ChEMBL | 208 | 2 | 0 | 4 | 0.8 | C(#CCN1CCCC1)COC1=NOCC1 | 10.1016/S0960-894X(97)00150-9 | |||
CHEMBL8610 | 208605 | None | 0 | Rat | Functional | pIC50 | = | 6.6 | 6.6 | -3 | 2 | ChEMBL | 208 | 2 | 0 | 4 | 0.8 | C(#CCN1CCCC1)COC1=NOCC1 | 10.1016/S0960-894X(97)00150-9 | |||
162353386 | 181086 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4758635 | 181086 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | |||
44233189 | 103456 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | 1 | 3 | ChEMBL | 349 | 5 | 1 | 2 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084678 | 103456 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | 1 | 3 | ChEMBL | 349 | 5 | 1 | 2 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
162667844 | 182639 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4787283 | 182639 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | |||
44418764 | 82190 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -1 | 4 | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | |||
CHEMBL216928 | 82190 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -1 | 4 | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | |||
44590033 | 183784 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -12 | 3 | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(OC)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL480299 | 183784 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -12 | 3 | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(OC)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590166 | 189525 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -3 | 2 | ChEMBL | 468 | 9 | 4 | 6 | 2.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL513228 | 189525 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -3 | 2 | ChEMBL | 468 | 9 | 4 | 6 | 2.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
76316970 | 103541 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -3 | 3 | ChEMBL | 350 | 4 | 0 | 3 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085076 | 103541 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -3 | 3 | ChEMBL | 350 | 4 | 0 | 3 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
10220392 | 208463 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -6 | 2 | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL84893 | 208463 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -6 | 2 | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
11508710 | 103555 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -1 | 3 | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085089 | 103555 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -1 | 3 | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
156493644 | 185168 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -1737 | 2 | ChEMBL | 435 | 6 | 2 | 6 | 3.7 | CC(=O)Nc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4855467 | 185168 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -1737 | 2 | ChEMBL | 435 | 6 | 2 | 6 | 3.7 | CC(=O)Nc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | |||
156493614 | 185506 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -338 | 2 | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4860985 | 185506 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -338 | 2 | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | |||
168272462 | 190273 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -51 | 2 | ChEMBL | 428 | 6 | 1 | 5 | 4.4 | Fc1ccc(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | |||
CHEMBL5173887 | 190273 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -51 | 2 | ChEMBL | 428 | 6 | 1 | 5 | 4.4 | Fc1ccc(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | |||
137630050 | 161134 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4089543 | 161134 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4097258 | 161134 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4116470 | 161134 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
46830362 | 7896 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -5 | 5 | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | |||
CHEMBL1090097 | 7896 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -5 | 5 | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | |||
76331543 | 103558 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -2 | 3 | ChEMBL | 362 | 4 | 0 | 4 | 4.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085092 | 103558 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -2 | 3 | ChEMBL | 362 | 4 | 0 | 4 | 4.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
138578326 | 186334 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -870 | 2 | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4861863 | 186334 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -870 | 2 | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4873386 | 186334 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -870 | 2 | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
9990434 | 106395 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | 1 | 3 | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL313918 | 106395 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | 1 | 3 | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
44455159 | 97818 | None | 0 | Rat | Functional | pIC50 | = | 4.5 | 4.5 | -25 | 5 | ChEMBL | 383 | 5 | 1 | 3 | 4.2 | CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | |||
CHEMBL271704 | 97818 | None | 0 | Rat | Functional | pIC50 | = | 4.5 | 4.5 | -25 | 5 | ChEMBL | 383 | 5 | 1 | 3 | 4.2 | CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | |||
46682613 | 181262 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 286 | 4 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NC1CCCCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4760823 | 181262 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 286 | 4 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NC1CCCCC1 | 10.1016/j.bmcl.2020.127632 | |||
162353378 | 183017 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4792360 | 183017 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1 | 10.1016/j.bmcl.2020.127632 | |||
44590174 | 170160 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 3 | 3 | ChEMBL | 651 | 10 | 3 | 6 | 4.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL444300 | 170160 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 3 | 3 | ChEMBL | 651 | 10 | 3 | 6 | 4.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL466271 | 170160 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 3 | 3 | ChEMBL | 651 | 10 | 3 | 6 | 4.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590178 | 172841 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 1 | 3 | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL450781 | 172841 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 1 | 3 | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL540400 | 172841 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 1 | 3 | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
11583262 | 106553 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -11 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085060 | 106553 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -11 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140181 | 106553 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -11 | 3 | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
156493565 | 185092 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1318 | 2 | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1cccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4854289 | 185092 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1318 | 2 | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1cccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
168276820 | 190215 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -63 | 2 | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | |||
CHEMBL5172967 | 190215 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -63 | 2 | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | |||
CHEMBL5208649 | 190215 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -63 | 2 | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | |||
10058347 | 105987 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -2 | 2 | ChEMBL | 190 | 3 | 0 | 3 | 0.9 | C#C/C=C/CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL312823 | 105987 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -2 | 2 | ChEMBL | 190 | 3 | 0 | 3 | 0.9 | C#C/C=C/CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
71450615 | 83965 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -1 | 3 | ChEMBL | 609 | 14 | 4 | 5 | 5.5 | CC[N+](CC)(CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)OC(C)C)cc1)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206604 | 83965 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -1 | 3 | ChEMBL | 609 | 14 | 4 | 5 | 5.5 | CC[N+](CC)(CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)OC(C)C)cc1)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
11819427 | 57569 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1 | 2 | ChEMBL | 168 | 2 | 0 | 3 | 1.1 | CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL166423 | 57569 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1 | 2 | ChEMBL | 168 | 2 | 0 | 3 | 1.1 | CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
47358375 | 180868 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 272 | 4 | 1 | 2 | 2.9 | O=C(CCN1CCCc2ccccc21)NC1CCCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4756164 | 180868 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 272 | 4 | 1 | 2 | 2.9 | O=C(CCN1CCCc2ccccc21)NC1CCCC1 | 10.1016/j.bmcl.2020.127632 | |||
11584660 | 93321 | None | 8 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | |||
CHEMBL244946 | 93321 | None | 8 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | |||
44590182 | 183257 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -12 | 3 | ChEMBL | 532 | 9 | 5 | 7 | 3.0 | COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL479526 | 183257 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -12 | 3 | ChEMBL | 532 | 9 | 5 | 7 | 3.0 | COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590034 | 190086 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -12 | 3 | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(OC)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL517087 | 190086 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -12 | 3 | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(OC)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
16094791 | 83289 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -3 | 3 | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
CHEMBL218755 | 83289 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -3 | 3 | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
162353374 | 180149 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 286 | 3 | 0 | 2 | 3.2 | CC1CCCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4747590 | 180149 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 286 | 3 | 0 | 2 | 3.2 | CC1CCCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | |||
138578970 | 185773 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1862 | 2 | ChEMBL | 414 | 5 | 1 | 5 | 4.0 | Fc1ccc(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4864914 | 185773 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1862 | 2 | ChEMBL | 414 | 5 | 1 | 5 | 4.0 | Fc1ccc(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
44634573 | 2748 | None | 1 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -380 | 15 | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442687 | |||
9168 | 2748 | None | 1 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -380 | 15 | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442687 | |||
CHEMBL1474387 | 2748 | None | 1 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -380 | 15 | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442687 | |||
CHEMBL1622930 | 2748 | None | 1 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -380 | 15 | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442687 | |||
71452456 | 83970 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -2 | 2 | ChEMBL | 525 | 10 | 4 | 5 | 3.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(C)CCCCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206609 | 83970 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -2 | 2 | ChEMBL | 525 | 10 | 4 | 5 | 3.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(C)CCCCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
122203596 | 155896 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4059733 | 155896 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4066481 | 155896 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | |||
137637944 | 155905 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -3 | 5 | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | |||
CHEMBL4059829 | 155905 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -3 | 5 | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | |||
71450617 | 83971 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -1 | 2 | ChEMBL | 527 | 12 | 4 | 5 | 4.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206610 | 83971 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -1 | 2 | ChEMBL | 527 | 12 | 4 | 5 | 4.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
162353382 | 181840 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 330 | 4 | 1 | 2 | 4.6 | O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4777127 | 181840 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 330 | 4 | 1 | 2 | 4.6 | O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2020.127632 | |||
11626847 | 106532 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -9 | 3 | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085068 | 106532 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -9 | 3 | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140111 | 106532 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -9 | 3 | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | |||
130 | 3500 | None | 32 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1698 | 10 | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 10.6019/CHEMBL5442687 | |||
3378093 | 3500 | None | 32 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1698 | 10 | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 10.6019/CHEMBL5442687 | |||
CHEMBL281350 | 3500 | None | 32 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1698 | 10 | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 10.6019/CHEMBL5442687 | |||
2551 | 794 | None | 13 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | |||
2551.0 | 794 | None | 13 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | |||
298 | 794 | None | 13 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | |||
488 | 794 | None | 13 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | |||
DB00411 | 794 | None | 13 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | |||
10092649 | 193182 | None | 43 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -43 | 11 | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
CHEMBL522460 | 193182 | None | 43 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -43 | 11 | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
44233419 | 103454 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1 | 3 | ChEMBL | 376 | 6 | 1 | 2 | 4.4 | CC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084674 | 103454 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1 | 3 | ChEMBL | 376 | 6 | 1 | 2 | 4.4 | CC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | |||
10092649 | 193182 | None | 43 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -43 | 11 | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
CHEMBL522460 | 193182 | None | 43 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -43 | 11 | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | |||
164606754 | 184808 | None | 11 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -954 | 3 | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4850236 | 184808 | None | 11 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -954 | 3 | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4873617 | 184808 | None | 11 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -954 | 3 | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
138578253 | 186561 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1230 | 2 | ChEMBL | 378 | 5 | 1 | 5 | 3.7 | c1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4876599 | 186561 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1230 | 2 | ChEMBL | 378 | 5 | 1 | 5 | 3.7 | c1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | |||
24882532 | 95170 | None | 0 | Rat | Functional | pIC50 | = | 5.5 | 5.5 | -7 | 4 | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | |||
CHEMBL255523 | 95170 | None | 0 | Rat | Functional | pIC50 | = | 5.5 | 5.5 | -7 | 4 | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | |||
137638270 | 156969 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -3 | 5 | ChEMBL | 434 | 4 | 0 | 8 | 2.2 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | |||
CHEMBL4071900 | 156969 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -3 | 5 | ChEMBL | 434 | 4 | 0 | 8 | 2.2 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | |||
137647734 | 157938 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -2 | 5 | ChEMBL | 448 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | |||
CHEMBL4083681 | 157938 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -2 | 5 | ChEMBL | 448 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | |||
156016041 | 178352 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -1 | 2 | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4644612 | 178352 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -1 | 2 | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4650627 | 178352 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -1 | 2 | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
122203596 | 155896 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4059733 | 155896 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4066481 | 155896 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | |||
6603703 | 208 | None | 8 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1174 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.6019/CHEMBL5442687 | |||
9637 | 208 | None | 8 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1174 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.6019/CHEMBL5442687 | |||
CHEMBL291143 | 208 | None | 8 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1174 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.6019/CHEMBL5442687 | |||
174174 | 523 | None | 33 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.6019/CHEMBL5442687 | |||
174174.0 | 523 | None | 33 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.6019/CHEMBL5442687 | |||
260 | 523 | None | 33 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.6019/CHEMBL5442687 | |||
320 | 523 | None | 33 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.6019/CHEMBL5442687 | |||
CHEMBL517712 | 523 | None | 33 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.6019/CHEMBL5442687 | |||
DB00572 | 523 | None | 33 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.6019/CHEMBL5442687 | |||
76327903 | 103559 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -4 | 3 | ChEMBL | 381 | 4 | 0 | 5 | 4.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085093 | 103559 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -4 | 3 | ChEMBL | 381 | 4 | 0 | 5 | 4.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
69444105 | 103542 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -1 | 3 | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085077 | 103542 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -1 | 3 | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
156015807 | 178404 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 1 | 2 | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4641726 | 178404 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 1 | 2 | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4650973 | 178404 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 1 | 2 | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
137655063 | 159065 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -3 | 5 | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | |||
CHEMBL4096143 | 159065 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -3 | 5 | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | |||
11552174 | 103556 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -3 | 3 | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085090 | 103556 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -3 | 3 | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
44589583 | 172584 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -6 | 3 | ChEMBL | 561 | 10 | 5 | 6 | 3.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL448294 | 172584 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -6 | 3 | ChEMBL | 561 | 10 | 5 | 6 | 3.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL555471 | 172584 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -6 | 3 | ChEMBL | 561 | 10 | 5 | 6 | 3.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590168 | 172832 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -6 | 3 | ChEMBL | 589 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL450652 | 172832 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -6 | 3 | ChEMBL | 589 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL540399 | 172832 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -6 | 3 | ChEMBL | 589 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44589584 | 188887 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -6 | 3 | ChEMBL | 563 | 10 | 4 | 5 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL505651 | 188887 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -6 | 3 | ChEMBL | 563 | 10 | 4 | 5 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL540144 | 188887 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -6 | 3 | ChEMBL | 563 | 10 | 4 | 5 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
16094788 | 142002 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -1 | 3 | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
CHEMBL386983 | 142002 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -1 | 3 | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
162353381 | 180135 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 287 | 4 | 1 | 4 | 2.9 | O=C(CCN1CCCc2ccccc21)Nc1nccs1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4747438 | 180135 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 287 | 4 | 1 | 4 | 2.9 | O=C(CCN1CCCc2ccccc21)Nc1nccs1 | 10.1016/j.bmcl.2020.127632 | |||
44589498 | 172861 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -3 | 3 | ChEMBL | 572 | 11 | 5 | 7 | 3.8 | O=C(Nc1ccc(C(=O)OCC2CC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)NC1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL451043 | 172861 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -3 | 3 | ChEMBL | 572 | 11 | 5 | 7 | 3.8 | O=C(Nc1ccc(C(=O)OCC2CC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)NC1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | |||
10419574 | 58112 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 168 | 3 | 0 | 3 | 1.1 | CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL167438 | 58112 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 168 | 3 | 0 | 3 | 1.1 | CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
1692 | 2154 | None | 25 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -131 | 18 | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.6019/CHEMBL5442687 | |||
5311340 | 2154 | None | 25 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -131 | 18 | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.6019/CHEMBL5442687 | |||
CHEMBL140979 | 2154 | None | 25 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -131 | 18 | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.6019/CHEMBL5442687 | |||
76327900 | 106539 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -12 | 3 | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085061 | 106539 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -12 | 3 | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140142 | 106539 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -12 | 3 | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
71457771 | 83963 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -5 | 3 | ChEMBL | 691 | 14 | 4 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206602 | 83963 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -5 | 3 | ChEMBL | 691 | 14 | 4 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
76320694 | 103551 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -1 | 3 | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085085 | 103551 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -1 | 3 | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | |||
71454213 | 83956 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 11 | 2 | ChEMBL | 723 | 11 | 3 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCc4ccccc4C3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206591 | 83956 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 11 | 2 | ChEMBL | 723 | 11 | 3 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCc4ccccc4C3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
71450662 | 84040 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 1 | 3 | ChEMBL | 611 | 13 | 4 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2207176 | 84040 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 1 | 3 | ChEMBL | 611 | 13 | 4 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
42611190 | 3156 | None | 14 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1071 | 21 | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.6019/CHEMBL5442687 | |||
5802 | 3156 | None | 14 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1071 | 21 | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.6019/CHEMBL5442687 | |||
CHEMBL1800685 | 3156 | None | 14 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1071 | 21 | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.6019/CHEMBL5442687 | |||
3929516 | 107426 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.6019/CHEMBL5442687 | |||
CHEMBL317757 | 107426 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.6019/CHEMBL5442687 | |||
CHEMBL543113 | 107426 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.6019/CHEMBL5442687 | |||
162649767 | 180208 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 333 | 4 | 1 | 3 | 4.0 | Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4748337 | 180208 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 333 | 4 | 1 | 3 | 4.0 | Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21 | 10.1016/j.bmcl.2020.127632 | |||
10150497 | 4074 | None | 40 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -660 | 15 | ChEMBL | 380 | 4 | 1 | 7 | 2.7 | NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2 | 10.6019/CHEMBL5442687 | |||
3240 | 4074 | None | 40 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -660 | 15 | ChEMBL | 380 | 4 | 1 | 7 | 2.7 | NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2 | 10.6019/CHEMBL5442687 | |||
CHEMBL392760 | 4074 | None | 40 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -660 | 15 | ChEMBL | 380 | 4 | 1 | 7 | 2.7 | NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2 | 10.6019/CHEMBL5442687 | |||
71452454 | 83952 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -41 | 2 | ChEMBL | 603 | 9 | 3 | 7 | 3.9 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(Cc3ccc4c(c3)OCO4)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206587 | 83952 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -41 | 2 | ChEMBL | 603 | 9 | 3 | 7 | 3.9 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(Cc3ccc4c(c3)OCO4)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
2705 | 3842 | None | 44 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442687 | |||
360 | 3842 | None | 44 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442687 | |||
443879 | 3842 | None | 44 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442687 | |||
443879.0 | 3842 | None | 44 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442687 | |||
CHEMBL1382 | 3842 | None | 44 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442687 | |||
DB01036 | 3842 | None | 44 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442687 | |||
54816802 | 181378 | None | 1 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | O=C(CN1CCCc2ccccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4762056 | 181378 | None | 1 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | O=C(CN1CCCc2ccccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | |||
487 | 3634 | None | 20 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 9 | 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 | 10.6019/CHEMBL5442687 | |||
60602 | 3634 | None | 20 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 9 | 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 | 10.6019/CHEMBL5442687 | |||
CHEMBL405355 | 3634 | None | 20 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 9 | 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 | 10.6019/CHEMBL5442687 | |||
DB09239 | 3634 | None | 20 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 9 | 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 | 10.6019/CHEMBL5442687 | |||
10081053 | 57587 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 182 | 1 | 0 | 3 | 1.5 | CC(C)(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL166593 | 57587 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 182 | 1 | 0 | 3 | 1.5 | CC(C)(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
44233187 | 86059 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | 1 | 3 | ChEMBL | 474 | 8 | 1 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL2306159 | 86059 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | 1 | 3 | ChEMBL | 474 | 8 | 1 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
10129 | 3322 | None | 44 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 10.6019/CHEMBL5442687 | |||
11753673 | 3322 | None | 44 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 10.6019/CHEMBL5442687 | |||
11753673.0 | 3322 | None | 44 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 10.6019/CHEMBL5442687 | |||
5303 | 3322 | None | 44 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 10.6019/CHEMBL5442687 | |||
CHEMBL3833319 | 3322 | None | 44 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 10.6019/CHEMBL5442687 | |||
DB11855 | 3322 | None | 44 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 10.6019/CHEMBL5442687 | |||
52936725 | 61270 | None | 22 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -954 | 10 | ChEMBL | 432 | 6 | 2 | 4 | 6.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1 | 10.6019/CHEMBL5442687 | |||
CHEMBL1766103 | 61270 | None | 22 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -954 | 10 | ChEMBL | 432 | 6 | 2 | 4 | 6.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1 | 10.6019/CHEMBL5442687 | |||
76327902 | 103554 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -1 | 3 | ChEMBL | 354 | 4 | 0 | 4 | 4.4 | Cc1ccoc1CN(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085088 | 103554 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -1 | 3 | ChEMBL | 354 | 4 | 0 | 4 | 4.4 | Cc1ccoc1CN(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | |||
164606754 | 184808 | None | 11 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -954 | 3 | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4850236 | 184808 | None | 11 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -954 | 3 | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4873617 | 184808 | None | 11 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -954 | 3 | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
109035056 | 181429 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 331 | 4 | 1 | 3 | 4.0 | O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4762755 | 181429 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 331 | 4 | 1 | 3 | 4.0 | O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12 | 10.1016/j.bmcl.2020.127632 | |||
11619198 | 106547 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -10 | 3 | ChEMBL | 365 | 4 | 0 | 2 | 4.6 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085058 | 106547 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -10 | 3 | ChEMBL | 365 | 4 | 0 | 2 | 4.6 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140170 | 106547 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -10 | 3 | ChEMBL | 365 | 4 | 0 | 2 | 4.6 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
156015153 | 178412 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 1 | 2 | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4641714 | 178412 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 1 | 2 | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4651018 | 178412 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 1 | 2 | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
28 | 3496 | None | 35 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 15 | ChEMBL | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 10.6019/CHEMBL5442687 | |||
3292447 | 3496 | None | 35 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 15 | ChEMBL | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 10.6019/CHEMBL5442687 | |||
CHEMBL20963 | 3496 | None | 35 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 15 | ChEMBL | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 10.6019/CHEMBL5442687 | |||
162353371 | 181756 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | CC1CCc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4775999 | 181756 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | CC1CCc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | |||
16040727 | 169546 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 2 | 3 | ChEMBL | 649 | 11 | 3 | 6 | 5.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL442672 | 169546 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 2 | 3 | ChEMBL | 649 | 11 | 3 | 6 | 5.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL495102 | 169546 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 2 | 3 | ChEMBL | 649 | 11 | 3 | 6 | 5.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590169 | 188350 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 7 | 3 | ChEMBL | 603 | 11 | 3 | 7 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL499565 | 188350 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 7 | 3 | ChEMBL | 603 | 11 | 3 | 7 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL539885 | 188350 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 7 | 3 | ChEMBL | 603 | 11 | 3 | 7 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44590181 | 173668 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 12 | 3 | ChEMBL | 633 | 12 | 3 | 8 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL453248 | 173668 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 12 | 3 | ChEMBL | 633 | 12 | 3 | 8 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL551113 | 173668 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 12 | 3 | ChEMBL | 633 | 12 | 3 | 8 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
25034110 | 188874 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | |||
CHEMBL505453 | 188874 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 3 | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | |||
10376012 | 58750 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 216 | 2 | 0 | 3 | 1.1 | CC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL168561 | 58750 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 216 | 2 | 0 | 3 | 1.1 | CC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
76320690 | 106516 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -2 | 3 | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085063 | 106516 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -2 | 3 | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140092 | 106516 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -2 | 3 | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
137654353 | 159108 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -1 | 6 | ChEMBL | 436 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1Cc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | |||
CHEMBL4096589 | 159108 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -1 | 6 | ChEMBL | 436 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1Cc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | |||
2986945 | 95108 | None | 4 | Rat | Functional | pIC50 | = | 4.3 | 4.3 | -47 | 5 | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | |||
CHEMBL255169 | 95108 | None | 4 | Rat | Functional | pIC50 | = | 4.3 | 4.3 | -47 | 5 | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | |||
2904292 | 183686 | None | 11 | Human | Functional | pIC50 | = | 4.3 | 4.3 | - | 1 | ChEMBL | 306 | 2 | 0 | 3 | 4.3 | CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc21 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4800495 | 183686 | None | 11 | Human | Functional | pIC50 | = | 4.3 | 4.3 | - | 1 | ChEMBL | 306 | 2 | 0 | 3 | 4.3 | CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc21 | 10.1016/j.bmcl.2020.127632 | |||
15681300 | 57580 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | C#CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL166537 | 57580 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | C#CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
11510358 | 106540 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -4 | 3 | ChEMBL | 355 | 4 | 0 | 3 | 4.2 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085069 | 106540 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -4 | 3 | ChEMBL | 355 | 4 | 0 | 3 | 4.2 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140143 | 106540 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -4 | 3 | ChEMBL | 355 | 4 | 0 | 3 | 4.2 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
58975257 | 103432 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 3 | ChEMBL | 377 | 6 | 2 | 2 | 3.9 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(N)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084638 | 103432 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 3 | ChEMBL | 377 | 6 | 2 | 2 | 3.9 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(N)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
36014865 | 182776 | None | 1 | Human | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | O=C(CCN1CCCc2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4789054 | 182776 | None | 1 | Human | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | O=C(CCN1CCCc2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2020.127632 | |||
44233928 | 86108 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | 1 | 3 | ChEMBL | 438 | 7 | 1 | 2 | 5.6 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL2308786 | 86108 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | 1 | 3 | ChEMBL | 438 | 7 | 1 | 2 | 5.6 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
71455969 | 83964 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -3 | 3 | ChEMBL | 581 | 12 | 4 | 5 | 4.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206603 | 83964 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -3 | 3 | ChEMBL | 581 | 12 | 4 | 5 | 4.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
11547053 | 106521 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -9 | 3 | ChEMBL | 377 | 4 | 0 | 3 | 5.0 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085074 | 106521 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -9 | 3 | ChEMBL | 377 | 4 | 0 | 3 | 5.0 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140097 | 106521 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -9 | 3 | ChEMBL | 377 | 4 | 0 | 3 | 5.0 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
662 | 3680 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -2 | 12 | ChEMBL | 756 | 14 | 2 | 8 | 6.3 | COc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@@H](c1ccc2c(c1)OCO2)CC(=O)N[C@@H](C(=O)N(C(C)C)C)Cc1ccc(cc1)CN1[C@H](C)CCC[C@@H]1C | 10.6019/CHEMBL5442687 | |||
9853583 | 3680 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -2 | 12 | ChEMBL | 756 | 14 | 2 | 8 | 6.3 | COc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@@H](c1ccc2c(c1)OCO2)CC(=O)N[C@@H](C(=O)N(C(C)C)C)Cc1ccc(cc1)CN1[C@H](C)CCC[C@@H]1C | 10.6019/CHEMBL5442687 | |||
CHEMBL2021721 | 3680 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -2 | 12 | ChEMBL | 756 | 14 | 2 | 8 | 6.3 | COc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@@H](c1ccc2c(c1)OCO2)CC(=O)N[C@@H](C(=O)N(C(C)C)C)Cc1ccc(cc1)CN1[C@H](C)CCC[C@@H]1C | 10.6019/CHEMBL5442687 | |||
71454217 | 83962 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | 1 | 2 | ChEMBL | 551 | 9 | 3 | 5 | 4.3 | CC[N+]1(C2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2)CCCC1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206601 | 83962 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | 1 | 2 | ChEMBL | 551 | 9 | 3 | 5 | 4.3 | CC[N+]1(C2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2)CCCC1 | 10.1016/j.bmcl.2012.09.085 | |||
109014373 | 179908 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4744856 | 179908 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | |||
156016041 | 178352 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -1 | 2 | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4644612 | 178352 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -1 | 2 | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4650627 | 178352 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -1 | 2 | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
71455966 | 83955 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | 2 | 2 | ChEMBL | 675 | 11 | 3 | 5 | 6.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206590 | 83955 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | 2 | 2 | ChEMBL | 675 | 11 | 3 | 5 | 6.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
52176747 | 159123 | None | 0 | Rat | Functional | pIC50 | = | 5.2 | 5.2 | -13 | 8 | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | |||
CHEMBL4096727 | 159123 | None | 0 | Rat | Functional | pIC50 | = | 5.2 | 5.2 | -13 | 8 | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | |||
15681303 | 59007 | None | 0 | Human | Functional | pIC50 | = | 4.2 | 4.2 | -1 | 2 | ChEMBL | 208 | 3 | 0 | 4 | 0.3 | COCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL168991 | 59007 | None | 0 | Human | Functional | pIC50 | = | 4.2 | 4.2 | -1 | 2 | ChEMBL | 208 | 3 | 0 | 4 | 0.3 | COCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
44590173 | 189200 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 3 | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL510029 | 189200 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 3 | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL555019 | 189200 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 3 | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
156015153 | 178412 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | 1 | 2 | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4641714 | 178412 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | 1 | 2 | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL4651018 | 178412 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | 1 | 2 | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
11712408 | 106578 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -3 | 3 | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085067 | 106578 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -3 | 3 | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140261 | 106578 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -3 | 3 | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | |||
25150014 | 3885 | None | 44 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -15 | 9 | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.6019/CHEMBL5442687 | |||
3952 | 3885 | None | 44 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -15 | 9 | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.6019/CHEMBL5442687 | |||
CHEMBL449588 | 3885 | None | 44 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -15 | 9 | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.6019/CHEMBL5442687 | |||
108993425 | 181864 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | O=C(CN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4777543 | 181864 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | O=C(CN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | |||
168289751 | 191919 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -47 | 2 | ChEMBL | 446 | 6 | 1 | 7 | 4.0 | Cn1cc2cc(-c3ccc(NC[C@@H]4CC45CCN(CC4CCOCC4)CC5)nn3)ccc2n1 | 10.1016/j.bmcl.2021.128479 | |||
CHEMBL5198423 | 191919 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -47 | 2 | ChEMBL | 446 | 6 | 1 | 7 | 4.0 | Cn1cc2cc(-c3ccc(NC[C@@H]4CC45CCN(CC4CCOCC4)CC5)nn3)ccc2n1 | 10.1016/j.bmcl.2021.128479 | |||
104850 | 3330 | None | 58 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -562 | 28 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.6019/CHEMBL5442687 | |||
4150 | 3330 | None | 58 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -562 | 28 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.6019/CHEMBL5442687 | |||
743 | 3330 | None | 58 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -562 | 28 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.6019/CHEMBL5442687 | |||
CHEMBL111 | 3330 | None | 58 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -562 | 28 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.6019/CHEMBL5442687 | |||
DB06155 | 3330 | None | 58 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -562 | 28 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.6019/CHEMBL5442687 | |||
2551 | 794 | None | 13 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
2551.0 | 794 | None | 13 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
298 | 794 | None | 13 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
488 | 794 | None | 13 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
CHEMBL965 | 794 | None | 13 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
DB00411 | 794 | None | 13 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -2 | 13 | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
1201549 | 597 | None | 17 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -26 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | |||
1201549.0 | 597 | None | 17 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -26 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | |||
333 | 597 | None | 17 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -26 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | |||
7601 | 597 | None | 17 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -26 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | |||
CHEMBL1201203 | 597 | None | 17 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -26 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | |||
CHEMBL438151 | 597 | None | 17 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -26 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | |||
DB00245 | 597 | None | 17 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -26 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | |||
44590124 | 169897 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -39 | 2 | ChEMBL | 598 | 10 | 4 | 6 | 4.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL443925 | 169897 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -39 | 2 | ChEMBL | 598 | 10 | 4 | 6 | 4.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
162657046 | 180949 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -99 | 4 | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | |||
CHEMBL4757103 | 180949 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -99 | 4 | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | |||
76316969 | 106579 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -11 | 3 | ChEMBL | 396 | 4 | 0 | 4 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(C#N)c1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085075 | 106579 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -11 | 3 | ChEMBL | 396 | 4 | 0 | 4 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(C#N)c1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140262 | 106579 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -11 | 3 | ChEMBL | 396 | 4 | 0 | 4 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(C#N)c1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
1890 | 2759 | None | 31 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -51 | 28 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.6019/CHEMBL5442687 | |||
4449 | 2759 | None | 31 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -51 | 28 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.6019/CHEMBL5442687 | |||
7247 | 2759 | None | 31 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -51 | 28 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.6019/CHEMBL5442687 | |||
CHEMBL623 | 2759 | None | 31 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -51 | 28 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.6019/CHEMBL5442687 | |||
DB01149 | 2759 | None | 31 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -51 | 28 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.6019/CHEMBL5442687 | |||
162353391 | 180927 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 282 | 4 | 1 | 4 | 2.3 | O=C(CCN1CCCc2ccccc21)Nc1cccnn1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4756873 | 180927 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 282 | 4 | 1 | 4 | 2.3 | O=C(CCN1CCCc2ccccc21)Nc1cccnn1 | 10.1016/j.bmcl.2020.127632 | |||
76313454 | 106563 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -1 | 3 | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085064 | 106563 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -1 | 3 | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140214 | 106563 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -1 | 3 | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
138578326 | 186334 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -870 | 2 | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4861863 | 186334 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -870 | 2 | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
CHEMBL4873386 | 186334 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -870 | 2 | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | |||
76309754 | 106577 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -8 | 3 | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085062 | 106577 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -8 | 3 | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140260 | 106577 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -8 | 3 | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | |||
1421986 | 8267 | None | 2 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -2 | 3 | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | |||
CHEMBL1092461 | 8267 | None | 2 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -2 | 3 | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | |||
11442478 | 106534 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -7 | 3 | ChEMBL | 377 | 4 | 0 | 4 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085073 | 106534 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -7 | 3 | ChEMBL | 377 | 4 | 0 | 4 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3140113 | 106534 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -7 | 3 | ChEMBL | 377 | 4 | 0 | 4 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
10109893 | 82196 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 89 | 3 | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | |||
CHEMBL216983 | 82196 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 89 | 3 | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | |||
CHEMBL544840 | 82196 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 89 | 3 | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | |||
162353376 | 180533 | None | 0 | Human | Functional | pIC50 | = | 4.2 | 4.2 | - | 1 | ChEMBL | 274 | 3 | 1 | 3 | 1.4 | O=C(CCN1CCCc2ccccc21)N1CCC(O)C1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4752380 | 180533 | None | 0 | Human | Functional | pIC50 | = | 4.2 | 4.2 | - | 1 | ChEMBL | 274 | 3 | 1 | 3 | 1.4 | O=C(CCN1CCCc2ccccc21)N1CCC(O)C1 | 10.1016/j.bmcl.2020.127632 | |||
11820032 | 98277 | None | 0 | Rat | Functional | pIC50 | = | 7.1 | 7.1 | 1 | 2 | ChEMBL | 197 | 2 | 0 | 2 | -0.1 | C[N+](C)(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | |||
CHEMBL274329 | 98277 | None | 0 | Rat | Functional | pIC50 | = | 7.1 | 7.1 | 1 | 2 | ChEMBL | 197 | 2 | 0 | 2 | -0.1 | C[N+](C)(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | |||
162353377 | 181271 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | CC1CCc2ccccc2N1CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4760904 | 181271 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | CC1CCc2ccccc2N1CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | |||
162353390 | 181055 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 302 | 4 | 1 | 3 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4758316 | 181055 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 302 | 4 | 1 | 3 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1 | 10.1016/j.bmcl.2020.127632 | |||
162670602 | 183043 | None | 0 | Human | Functional | pIC50 | = | 4.1 | 4.1 | - | 1 | ChEMBL | 248 | 2 | 0 | 2 | 1.8 | O=C(CN1CCc2ccc(F)cc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4792675 | 183043 | None | 0 | Human | Functional | pIC50 | = | 4.1 | 4.1 | - | 1 | ChEMBL | 248 | 2 | 0 | 2 | 1.8 | O=C(CN1CCc2ccc(F)cc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | |||
133640439 | 181479 | None | 1 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 302 | 4 | 1 | 3 | 1.9 | O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4763304 | 181479 | None | 1 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 302 | 4 | 1 | 3 | 1.9 | O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | |||
10240891 | 208556 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 3 | ChEMBL | 140 | 1 | 0 | 3 | 0.3 | CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL85678 | 208556 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 3 | ChEMBL | 140 | 1 | 0 | 3 | 0.3 | CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
16094783 | 136654 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 12 | 3 | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
CHEMBL373888 | 136654 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 12 | 3 | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
44589496 | 186087 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -15 | 3 | ChEMBL | 560 | 10 | 5 | 7 | 3.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL486983 | 186087 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -15 | 3 | ChEMBL | 560 | 10 | 5 | 7 | 3.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
174174 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | |||
174174.0 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | |||
260 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | |||
320 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | |||
CHEMBL517712 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | |||
DB00572 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | |||
174174 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | |||
174174.0 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | |||
260 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | |||
320 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | |||
CHEMBL517712 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | |||
DB00572 | 523 | None | 33 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | |||
76309757 | 103553 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -1 | 3 | ChEMBL | 340 | 4 | 0 | 4 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085087 | 103553 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -1 | 3 | ChEMBL | 340 | 4 | 0 | 4 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
71463136 | 83969 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -2 | 3 | ChEMBL | 621 | 12 | 4 | 5 | 5.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206608 | 83969 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -2 | 3 | ChEMBL | 621 | 12 | 4 | 5 | 5.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
71459724 | 84041 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -63 | 3 | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2207177 | 84041 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -63 | 3 | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
302 | 2977 | None | 15 | Rat | Functional | pIC50 | = | 7.1 | 7.1 | -7 | 8 | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | |||
4630 | 2977 | None | 15 | Rat | Functional | pIC50 | = | 7.1 | 7.1 | -7 | 8 | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | |||
CHEMBL7634 | 2977 | None | 15 | Rat | Functional | pIC50 | = | 7.1 | 7.1 | -7 | 8 | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | |||
122203596 | 155896 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4059733 | 155896 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | |||
CHEMBL4066481 | 155896 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | |||
71454214 | 83957 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | 1 | 2 | ChEMBL | 573 | 10 | 3 | 5 | 4.2 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CCc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206592 | 83957 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | 1 | 2 | ChEMBL | 573 | 10 | 3 | 5 | 4.2 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CCc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
10375322 | 58747 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 192 | 2 | 0 | 3 | 1.1 | CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL168545 | 58747 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 192 | 2 | 0 | 3 | 1.1 | CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
71454212 | 83951 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 5 | 2 | ChEMBL | 623 | 13 | 4 | 5 | 5.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(C)(C)C[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206586 | 83951 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 5 | 2 | ChEMBL | 623 | 13 | 4 | 5 | 5.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(C)(C)C[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
16125704 | 84698 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 482 | 6 | 1 | 3 | 4.4 | C[N+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | |||
CHEMBL222450 | 84698 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 482 | 6 | 1 | 3 | 4.4 | C[N+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | |||
CHEMBL4755618 | 216526 | None | 39 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 2 | ChEMBL | None | None | None | Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12 | 10.1021/acs.jmedchem.1c02148 | |||||
11617374 | 103543 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -3 | 3 | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
CHEMBL3085078 | 103543 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -3 | 3 | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | |||
155522355 | 176514 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
CHEMBL4451030 | 176514 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
CHEMBL4596065 | 176514 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
49665121 | 170566 | None | 10 | Human | Functional | pIC50 | = | 6.0 | 6.0 | 3 | 3 | ChEMBL | 384 | 4 | 0 | 8 | 3.4 | Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 | 10.1016/j.bmcl.2016.07.071 | |||
CHEMBL4448840 | 170566 | None | 10 | Human | Functional | pIC50 | = | 6.0 | 6.0 | 3 | 3 | ChEMBL | 384 | 4 | 0 | 8 | 3.4 | Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 | 10.1016/j.bmcl.2016.07.071 | |||
129989 | 451 | None | 33 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.6019/CHEMBL5442687 | |||
8584 | 451 | None | 33 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.6019/CHEMBL5442687 | |||
CHEMBL43383 | 451 | None | 33 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.6019/CHEMBL5442687 | |||
162353387 | 181337 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 274 | 2 | 1 | 3 | 2.2 | O=C(CN1CCCc2ccc(O)cc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4761549 | 181337 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 274 | 2 | 1 | 3 | 2.2 | O=C(CN1CCCc2ccc(O)cc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | |||
71457770 | 83961 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -1 | 3 | ChEMBL | 647 | 10 | 3 | 5 | 6.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC([N+]3(Cc4ccc(Cl)cc4)CCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206600 | 83961 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -1 | 3 | ChEMBL | 647 | 10 | 3 | 5 | 6.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC([N+]3(Cc4ccc(Cl)cc4)CCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
10376182 | 58773 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 220 | 4 | 0 | 3 | 1.9 | CCCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
CHEMBL168639 | 58773 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 220 | 4 | 0 | 3 | 1.9 | CCCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | |||
71455965 | 83954 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -3 | 3 | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(C(C)C)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206589 | 83954 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -3 | 3 | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(C(C)C)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
162353383 | 182683 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 284 | 4 | 1 | 4 | 2.2 | Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4787944 | 182683 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 284 | 4 | 1 | 4 | 2.2 | Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1 | 10.1016/j.bmcl.2020.127632 | |||
162657652 | 181091 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 335 | 4 | 1 | 3 | 4.2 | CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21 | 10.1016/j.bmcl.2020.127632 | |||
CHEMBL4758742 | 181091 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 335 | 4 | 1 | 3 | 4.2 | CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21 | 10.1016/j.bmcl.2020.127632 | |||
10372836 | 102452 | None | 36 | Human | Functional | pIC50 | = | 6.0 | 6.0 | -616 | 3 | ChEMBL | 739 | 13 | 6 | 9 | 6.4 | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.6019/CHEMBL5442687 | |||
CHEMBL3039518 | 102452 | None | 36 | Human | Functional | pIC50 | = | 6.0 | 6.0 | -616 | 3 | ChEMBL | 739 | 13 | 6 | 9 | 6.4 | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.6019/CHEMBL5442687 | |||
71463134 | 83958 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | -2 | 2 | ChEMBL | 618 | 11 | 3 | 6 | 4.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)Cc2n(C)cc[n+]2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
CHEMBL2206594 | 83958 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | -2 | 2 | ChEMBL | 618 | 11 | 3 | 6 | 4.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)Cc2n(C)cc[n+]2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | |||
11519069 | 3939 | None | 2 | Human | Functional | pKd | = | 10.5 | 10.5 | 1 | 3 | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | |||
11519070 | 3939 | None | 2 | Human | Functional | pKd | = | 10.5 | 10.5 | 1 | 3 | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | |||
11519070.0 | 3939 | None | 2 | Human | Functional | pKd | = | 10.5 | 10.5 | 1 | 3 | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | |||
4816 | 3939 | None | 2 | Human | Functional | pKd | = | 10.5 | 10.5 | 1 | 3 | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | |||
7354 | 3939 | None | 2 | Human | Functional | pKd | = | 10.5 | 10.5 | 1 | 3 | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | |||
CHEMBL1187833 | 3939 | None | 2 | Human | Functional | pKd | = | 10.5 | 10.5 | 1 | 3 | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | |||
DB09076 | 3939 | None | 2 | Human | Functional | pKd | = | 10.5 | 10.5 | 1 | 3 | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | |||
25195533 | 78417 | None | 2 | Human | Functional | pKd | = | 10.3 | 10.3 | - | 0 | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL2103803 | 78417 | None | 2 | Human | Functional | pKd | = | 10.3 | 10.3 | - | 0 | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL2110584 | 78417 | None | 2 | Human | Functional | pKd | = | 10.3 | 10.3 | - | 0 | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
44589580 | 173251 | None | 0 | Human | Functional | pKd | = | 10.3 | 10.3 | - | 0 | ChEMBL | 635 | 10 | 5 | 7 | 5.3 | C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL452142 | 173251 | None | 0 | Human | Functional | pKd | = | 10.3 | 10.3 | - | 0 | ChEMBL | 635 | 10 | 5 | 7 | 5.3 | C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL553448 | 173251 | None | 0 | Human | Functional | pKd | = | 10.3 | 10.3 | - | 0 | ChEMBL | 635 | 10 | 5 | 7 | 5.3 | C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1 | 10.1016/j.bmcl.2008.09.020 | |||
132947 | 3864 | None | 7 | Human | Functional | pKd | = | 9.8 | 9.8 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | |||
361 | 3864 | None | 7 | Human | Functional | pKd | = | 9.8 | 9.8 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | |||
CHEMBL265256 | 3864 | None | 7 | Human | Functional | pKd | = | 9.8 | 9.8 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | |||
132947 | 3864 | None | 7 | Human | Functional | pKd | = | 9.8 | 9.8 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | |||
361 | 3864 | None | 7 | Human | Functional | pKd | = | 9.8 | 9.8 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | |||
CHEMBL265256 | 3864 | None | 7 | Human | Functional | pKd | = | 9.8 | 9.8 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | |||
25034186 | 203895 | None | 0 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 722 | 11 | 4 | 8 | 7.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | |||
CHEMBL540396 | 203895 | None | 0 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 722 | 11 | 4 | 8 | 7.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | |||
CHEMBL604842 | 203895 | None | 0 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 722 | 11 | 4 | 8 | 7.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | |||
44589579 | 189162 | None | 0 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 595 | 10 | 5 | 7 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL509515 | 189162 | None | 0 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 595 | 10 | 5 | 7 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL540148 | 189162 | None | 0 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 595 | 10 | 5 | 7 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 | 10.1016/j.bmcl.2008.09.020 | |||
11766733 | 155844 | None | 0 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | |||
CHEMBL1202003 | 155844 | None | 0 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | |||
CHEMBL405739 | 155844 | None | 0 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | |||
132947 | 3864 | None | 7 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | |||
361 | 3864 | None | 7 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | |||
CHEMBL265256 | 3864 | None | 7 | Human | Functional | pKd | = | 9.7 | 9.7 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | |||
10770914 | 25069 | None | 0 | Human | Functional | pKd | = | 9.5 | 9.5 | - | 0 | ChEMBL | 691 | 25 | 3 | 7 | 6.4 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | |||
CHEMBL134692 | 25069 | None | 0 | Human | Functional | pKd | = | 9.5 | 9.5 | - | 0 | ChEMBL | 691 | 25 | 3 | 7 | 6.4 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | |||
44232952 | 103438 | None | 0 | Human | Functional | pKd | = | 9.5 | 9.5 | - | 0 | ChEMBL | 330 | 4 | 0 | 2 | 4.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084650 | 103438 | None | 0 | Human | Functional | pKd | = | 9.5 | 9.5 | - | 0 | ChEMBL | 330 | 4 | 0 | 2 | 4.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
10580398 | 21618 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 677 | 24 | 3 | 7 | 6.0 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | |||
CHEMBL131748 | 21618 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 677 | 24 | 3 | 7 | 6.0 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | |||
23724781 | 2835 | None | 13 | Guinea pig | Functional | pKd | = | 9.3 | 9.3 | - | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | |||
23724781.0 | 2835 | None | 13 | Guinea pig | Functional | pKd | = | 9.3 | 9.3 | - | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | |||
316 | 2835 | None | 13 | Guinea pig | Functional | pKd | = | 9.3 | 9.3 | - | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | |||
317 | 2835 | None | 13 | Guinea pig | Functional | pKd | = | 9.3 | 9.3 | - | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | |||
71183 | 2835 | None | 13 | Guinea pig | Functional | pKd | = | 9.3 | 9.3 | - | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | |||
CHEMBL1354199 | 2835 | None | 13 | Guinea pig | Functional | pKd | = | 9.3 | 9.3 | - | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | |||
CHEMBL3140030 | 2835 | None | 13 | Guinea pig | Functional | pKd | = | 9.3 | 9.3 | - | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | |||
CHEMBL376897 | 2835 | None | 13 | Guinea pig | Functional | pKd | = | 9.3 | 9.3 | - | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | |||
DB00462 | 2835 | None | 13 | Guinea pig | Functional | pKd | = | 9.3 | 9.3 | - | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | |||
23724781 | 2835 | None | 13 | Human | Functional | pKd | = | 9.3 | 9.3 | -60 | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | |||
23724781.0 | 2835 | None | 13 | Human | Functional | pKd | = | 9.3 | 9.3 | -60 | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | |||
316 | 2835 | None | 13 | Human | Functional | pKd | = | 9.3 | 9.3 | -60 | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | |||
317 | 2835 | None | 13 | Human | Functional | pKd | = | 9.3 | 9.3 | -60 | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | |||
71183 | 2835 | None | 13 | Human | Functional | pKd | = | 9.3 | 9.3 | -60 | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | |||
CHEMBL1354199 | 2835 | None | 13 | Human | Functional | pKd | = | 9.3 | 9.3 | -60 | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | |||
CHEMBL3140030 | 2835 | None | 13 | Human | Functional | pKd | = | 9.3 | 9.3 | -60 | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | |||
CHEMBL376897 | 2835 | None | 13 | Human | Functional | pKd | = | 9.3 | 9.3 | -60 | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | |||
DB00462 | 2835 | None | 13 | Human | Functional | pKd | = | 9.3 | 9.3 | -60 | 8 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | |||
10109130 | 133083 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 359 | 3 | 1 | 5 | 3.2 | CO[C@]1(C#CC(O)(c2cccs2)c2cccs2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL370232 | 133083 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 359 | 3 | 1 | 5 | 3.2 | CO[C@]1(C#CC(O)(c2cccs2)c2cccs2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
10291366 | 140786 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 347 | 3 | 1 | 3 | 3.0 | CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL381623 | 140786 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 347 | 3 | 1 | 3 | 3.0 | CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
69058946 | 106531 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084658 | 106531 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3140110 | 106531 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
10629559 | 23759 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 901 | 25 | 4 | 10 | 7.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
CHEMBL133561 | 23759 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 901 | 25 | 4 | 10 | 7.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
10628017 | 21723 | None | 0 | Human | Functional | pKd | = | 9.2 | 9.2 | - | 0 | ChEMBL | 650 | 26 | 3 | 7 | 7.0 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
CHEMBL131865 | 21723 | None | 0 | Human | Functional | pKd | = | 9.2 | 9.2 | - | 0 | ChEMBL | 650 | 26 | 3 | 7 | 7.0 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
14939891 | 169467 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL442014 | 169467 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
14939891 | 169467 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00075a032 | |||
CHEMBL442014 | 169467 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00075a032 | |||
9946298 | 72852 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL200171 | 72852 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
44406481 | 72900 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL200319 | 72900 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
44406573 | 72999 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#CC(O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL200693 | 72999 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#CC(O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
10532418 | 24613 | None | 0 | Human | Functional | pKd | = | 9.0 | 9.0 | - | 0 | ChEMBL | 664 | 27 | 3 | 7 | 7.4 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
CHEMBL134294 | 24613 | None | 0 | Human | Functional | pKd | = | 9.0 | 9.0 | - | 0 | ChEMBL | 664 | 27 | 3 | 7 | 7.4 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
25034182 | 172687 | None | 0 | Human | Functional | pKd | = | 9 | 9.0 | - | 0 | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | |||
CHEMBL448870 | 172687 | None | 0 | Human | Functional | pKd | = | 9 | 9.0 | - | 0 | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | |||
CHEMBL540359 | 172687 | None | 0 | Human | Functional | pKd | = | 9 | 9.0 | - | 0 | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | |||
25034182 | 172687 | None | 0 | Human | Functional | pKd | = | 9 | 9.0 | - | 0 | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL448870 | 172687 | None | 0 | Human | Functional | pKd | = | 9 | 9.0 | - | 0 | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL540359 | 172687 | None | 0 | Human | Functional | pKd | = | 9 | 9.0 | - | 0 | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
16116085 | 11850 | None | 0 | Human | Functional | pKd | = | 9 | 9.0 | - | 0 | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
CHEMBL1182201 | 11850 | None | 0 | Human | Functional | pKd | = | 9 | 9.0 | - | 0 | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
CHEMBL219786 | 11850 | None | 0 | Human | Functional | pKd | = | 9 | 9.0 | - | 0 | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
12872437 | 12062 | None | 0 | Human | Functional | pKd | = | 8.9 | 8.9 | - | 0 | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | |||
CHEMBL1183585 | 12062 | None | 0 | Human | Functional | pKd | = | 8.9 | 8.9 | - | 0 | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | |||
CHEMBL306182 | 12062 | None | 0 | Human | Functional | pKd | = | 8.9 | 8.9 | - | 0 | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | |||
11691950 | 12766 | None | 0 | Human | Functional | pKd | = | 8.9 | 8.9 | - | 0 | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | |||
CHEMBL1187853 | 12766 | None | 0 | Human | Functional | pKd | = | 8.9 | 8.9 | - | 0 | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | |||
CHEMBL524097 | 12766 | None | 0 | Human | Functional | pKd | = | 8.9 | 8.9 | - | 0 | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | |||
174174 | 523 | None | 33 | Human | Functional | pKd | = | 8.9 | 8.9 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | |||
174174.0 | 523 | None | 33 | Human | Functional | pKd | = | 8.9 | 8.9 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | |||
260 | 523 | None | 33 | Human | Functional | pKd | = | 8.9 | 8.9 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | |||
320 | 523 | None | 33 | Human | Functional | pKd | = | 8.9 | 8.9 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | |||
CHEMBL517712 | 523 | None | 33 | Human | Functional | pKd | = | 8.9 | 8.9 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | |||
DB00572 | 523 | None | 33 | Human | Functional | pKd | = | 8.9 | 8.9 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | |||
10771937 | 21700 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | |||
CHEMBL1202004 | 21700 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | |||
CHEMBL131846 | 21700 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | |||
25034184 | 188504 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 676 | 11 | 4 | 7 | 6.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | |||
CHEMBL501803 | 188504 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 676 | 11 | 4 | 7 | 6.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | |||
CHEMBL539887 | 188504 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 676 | 11 | 4 | 7 | 6.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | |||
44589581 | 188896 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 615 | 12 | 5 | 6 | 4.9 | C=CC[N+]1(Cc2cccc(O)c2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL505751 | 188896 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 615 | 12 | 5 | 6 | 4.9 | C=CC[N+]1(Cc2cccc(O)c2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL540145 | 188896 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 615 | 12 | 5 | 6 | 4.9 | C=CC[N+]1(Cc2cccc(O)c2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | |||
14939896 | 82118 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL1201996 | 82118 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL216566 | 82118 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
44406686 | 140998 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | - | 0 | ChEMBL | 366 | 3 | 1 | 4 | 2.6 | COC1(C#CC(O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL382213 | 140998 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | - | 0 | ChEMBL | 366 | 3 | 1 | 4 | 2.6 | COC1(C#CC(O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
174174 | 523 | None | 33 | Human | Functional | pKd | = | 8.7 | 8.7 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | |||
174174.0 | 523 | None | 33 | Human | Functional | pKd | = | 8.7 | 8.7 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | |||
260 | 523 | None | 33 | Human | Functional | pKd | = | 8.7 | 8.7 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | |||
320 | 523 | None | 33 | Human | Functional | pKd | = | 8.7 | 8.7 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | |||
CHEMBL517712 | 523 | None | 33 | Human | Functional | pKd | = | 8.7 | 8.7 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | |||
DB00572 | 523 | None | 33 | Human | Functional | pKd | = | 8.7 | 8.7 | -15 | 7 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | |||
44341782 | 9995 | None | 0 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 0 | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
CHEMBL114885 | 9995 | None | 0 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 0 | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
44318928 | 208221 | None | 0 | Human | Functional | pKd | = | 7 | 7.0 | - | 0 | ChEMBL | 400 | 6 | 0 | 3 | 5.0 | COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00487-0 | |||
CHEMBL82859 | 208221 | None | 0 | Human | Functional | pKd | = | 7 | 7.0 | - | 0 | ChEMBL | 400 | 6 | 0 | 3 | 5.0 | COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00487-0 | |||
44319043 | 208517 | None | 0 | Human | Functional | pKd | = | 7 | 7.0 | - | 0 | ChEMBL | 410 | 5 | 0 | 3 | 5.7 | O=C(c1cccs1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
CHEMBL85391 | 208517 | None | 0 | Human | Functional | pKd | = | 7 | 7.0 | - | 0 | ChEMBL | 410 | 5 | 0 | 3 | 5.7 | O=C(c1cccs1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
11753447 | 187457 | None | 0 | Human | Functional | pKd | = | 7 | 7.0 | - | 0 | ChEMBL | 459 | 7 | 2 | 4 | 4.4 | CC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | |||
CHEMBL493265 | 187457 | None | 0 | Human | Functional | pKd | = | 7 | 7.0 | - | 0 | ChEMBL | 459 | 7 | 2 | 4 | 4.4 | CC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | |||
2166 | 3123 | None | 33 | Rat | Functional | pKd | = | 5 | 5.0 | -131 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
305 | 3123 | None | 33 | Rat | Functional | pKd | = | 5 | 5.0 | -131 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
5910 | 3123 | None | 33 | Rat | Functional | pKd | = | 5 | 5.0 | -131 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
5910.0 | 3123 | None | 33 | Rat | Functional | pKd | = | 5 | 5.0 | -131 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
CHEMBL550 | 3123 | None | 33 | Rat | Functional | pKd | = | 5 | 5.0 | -131 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
DB01085 | 3123 | None | 33 | Rat | Functional | pKd | = | 5 | 5.0 | -131 | 10 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
128222 | 102143 | None | 5 | Human | Functional | pKd | = | 7.0 | 7.0 | - | 0 | ChEMBL | 554 | 27 | 4 | 6 | 6.4 | COc1ccccc1CNCCCCCCNCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
CHEMBL302179 | 102143 | None | 5 | Human | Functional | pKd | = | 7.0 | 7.0 | - | 0 | ChEMBL | 554 | 27 | 4 | 6 | 6.4 | COc1ccccc1CNCCCCCCNCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
44341878 | 110396 | None | 0 | Human | Functional | pKd | = | 6.0 | 6.0 | - | 0 | ChEMBL | 674 | 13 | 2 | 8 | 5.8 | CCN(CC)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL324026 | 110396 | None | 0 | Human | Functional | pKd | = | 6.0 | 6.0 | - | 0 | ChEMBL | 674 | 13 | 2 | 8 | 5.8 | CCN(CC)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
14939893 | 9536 | None | 0 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 0 | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
CHEMBL112244 | 9536 | None | 0 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 0 | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
154734599 | 2503 | None | 8 | Human | Functional | pKd | = | 7.9 | 7.9 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
327 | 2503 | None | 8 | Human | Functional | pKd | = | 7.9 | 7.9 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
4108 | 2503 | None | 8 | Human | Functional | pKd | = | 7.9 | 7.9 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
CHEMBL27673 | 2503 | None | 8 | Human | Functional | pKd | = | 7.9 | 7.9 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
154734599 | 2503 | None | 8 | Human | Functional | pKd | = | 7.9 | 7.9 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | |||
327 | 2503 | None | 8 | Human | Functional | pKd | = | 7.9 | 7.9 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | |||
4108 | 2503 | None | 8 | Human | Functional | pKd | = | 7.9 | 7.9 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | |||
CHEMBL27673 | 2503 | None | 8 | Human | Functional | pKd | = | 7.9 | 7.9 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | |||
44319071 | 208477 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 404 | 5 | 0 | 2 | 5.7 | O=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
CHEMBL84993 | 208477 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 404 | 5 | 0 | 2 | 5.7 | O=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
11556983 | 187471 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | |||
CHEMBL493331 | 187471 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | |||
CHEMBL538864 | 187471 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | |||
CHEMBL555476 | 187471 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | |||
44341782 | 9995 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | |||
CHEMBL114885 | 9995 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | |||
44341782 | 9995 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | |||
CHEMBL114885 | 9995 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | |||
10789183 | 104422 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 438 | 5 | 0 | 2 | 6.3 | O=C(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
CHEMBL310132 | 104422 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 438 | 5 | 0 | 2 | 6.3 | O=C(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
44318782 | 208591 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 482 | 5 | 0 | 2 | 6.4 | O=C(c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
CHEMBL85996 | 208591 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 482 | 5 | 0 | 2 | 6.4 | O=C(c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
44380974 | 57582 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 558 | 27 | 4 | 4 | 7.5 | Fc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(F)cc2)cc1 | 10.1021/jm00121a017 | |||
CHEMBL166544 | 57582 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 558 | 27 | 4 | 4 | 7.5 | Fc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(F)cc2)cc1 | 10.1021/jm00121a017 | |||
101720828 | 97173 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | |||
16147087 | 97173 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | |||
CHEMBL1202002 | 97173 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | |||
CHEMBL267643 | 97173 | None | 0 | Human | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | |||
44381057 | 58129 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 651 | 34 | 4 | 5 | 9.9 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCCNCCCCCCNCc1ccccc1C | 10.1021/jm00121a017 | |||
CHEMBL167587 | 58129 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 651 | 34 | 4 | 5 | 9.9 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCCNCCCCCCNCc1ccccc1C | 10.1021/jm00121a017 | |||
44380592 | 59328 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(OC)cc2)cc1 | 10.1021/jm00121a017 | |||
CHEMBL170554 | 59328 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(OC)cc2)cc1 | 10.1021/jm00121a017 | |||
154734599 | 2503 | None | 8 | Human | Functional | pKd | = | 7.8 | 7.8 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | |||
327 | 2503 | None | 8 | Human | Functional | pKd | = | 7.8 | 7.8 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | |||
4108 | 2503 | None | 8 | Human | Functional | pKd | = | 7.8 | 7.8 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | |||
CHEMBL27673 | 2503 | None | 8 | Human | Functional | pKd | = | 7.8 | 7.8 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | |||
154734599 | 2503 | None | 8 | Human | Functional | pKd | = | 7.8 | 7.8 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | |||
327 | 2503 | None | 8 | Human | Functional | pKd | = | 7.8 | 7.8 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | |||
4108 | 2503 | None | 8 | Human | Functional | pKd | = | 7.8 | 7.8 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | |||
CHEMBL27673 | 2503 | None | 8 | Human | Functional | pKd | = | 7.8 | 7.8 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | |||
101676031 | 97381 | None | 0 | Human | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
16175987 | 97381 | None | 0 | Human | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL1201998 | 97381 | None | 0 | Human | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL269272 | 97381 | None | 0 | Human | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
319 | 1324 | None | 32 | Human | Functional | pKd | = | 7.8 | 7.8 | -436 | 18 | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | |||
321 | 1324 | None | 32 | Human | Functional | pKd | = | 7.8 | 7.8 | -436 | 18 | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | |||
444031 | 1324 | None | 32 | Human | Functional | pKd | = | 7.8 | 7.8 | -436 | 18 | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | |||
444031.0 | 1324 | None | 32 | Human | Functional | pKd | = | 7.8 | 7.8 | -436 | 18 | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | |||
784 | 1324 | None | 32 | Human | Functional | pKd | = | 7.8 | 7.8 | -436 | 18 | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL1346 | 1324 | None | 32 | Human | Functional | pKd | = | 7.8 | 7.8 | -436 | 18 | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | |||
DB00496 | 1324 | None | 32 | Human | Functional | pKd | = | 7.8 | 7.8 | -436 | 18 | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | |||
2705 | 3842 | None | 44 | Human | Functional | pKd | = | 7.8 | 7.8 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | |||
360 | 3842 | None | 44 | Human | Functional | pKd | = | 7.8 | 7.8 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | |||
443879 | 3842 | None | 44 | Human | Functional | pKd | = | 7.8 | 7.8 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | |||
443879.0 | 3842 | None | 44 | Human | Functional | pKd | = | 7.8 | 7.8 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL1382 | 3842 | None | 44 | Human | Functional | pKd | = | 7.8 | 7.8 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | |||
DB01036 | 3842 | None | 44 | Human | Functional | pKd | = | 7.8 | 7.8 | -3 | 12 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | |||
44380973 | 120795 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1cccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccc(OC)c2)c1 | 10.1021/jm00121a017 | |||
CHEMBL354855 | 120795 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1cccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccc(OC)c2)c1 | 10.1021/jm00121a017 | |||
44319342 | 208176 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 454 | 5 | 0 | 3 | 5.8 | O=C(c1cccs1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
CHEMBL82512 | 208176 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 454 | 5 | 0 | 3 | 5.8 | O=C(c1cccs1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
44319339 | 208365 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 386 | 5 | 1 | 3 | 4.7 | O=C(c1ccccc1)N(c1ccc(O)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
CHEMBL83982 | 208365 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 386 | 5 | 1 | 3 | 4.7 | O=C(c1ccccc1)N(c1ccc(O)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
44341864 | 109267 | None | 0 | Human | Functional | pKd | = | 5.8 | 5.8 | - | 0 | ChEMBL | 575 | 7 | 2 | 7 | 4.7 | CCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL321687 | 109267 | None | 0 | Human | Functional | pKd | = | 5.8 | 5.8 | - | 0 | ChEMBL | 575 | 7 | 2 | 7 | 4.7 | CCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
44380309 | 58793 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 554 | 27 | 4 | 6 | 6.4 | COc1ccccc1CNCCCCCNCCCCCCCCNCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
CHEMBL168736 | 58793 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 554 | 27 | 4 | 6 | 6.4 | COc1ccccc1CNCCCCCNCCCCCCCCNCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
44298537 | 101096 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 639 | 29 | 0 | 6 | 8.6 | COc1ccccc1CN(C)CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(C)Cc1ccccc1OC | 10.1021/jm00121a017 | |||
CHEMBL294613 | 101096 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 639 | 29 | 0 | 6 | 8.6 | COc1ccccc1CN(C)CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(C)Cc1ccccc1OC | 10.1021/jm00121a017 | |||
44380837 | 58457 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 550 | 27 | 4 | 4 | 7.8 | Cc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(C)cc2)cc1 | 10.1021/jm00121a017 | |||
CHEMBL168304 | 58457 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 550 | 27 | 4 | 4 | 7.8 | Cc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(C)cc2)cc1 | 10.1021/jm00121a017 | |||
44381064 | 58278 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CN(C)CCCCCCNCCCCCCCCNCCCCCCN(C)Cc1ccccc1OC | 10.1021/jm00121a017 | |||
CHEMBL168235 | 58278 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CN(C)CCCCCCNCCCCCCCCNCCCCCCN(C)Cc1ccccc1OC | 10.1021/jm00121a017 | |||
10316726 | 12032 | None | 0 | Human | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | |||
CHEMBL1183364 | 12032 | None | 0 | Human | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | |||
CHEMBL292857 | 12032 | None | 0 | Human | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | |||
16144765 | 96932 | None | 0 | Human | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 1403 | 29 | 4 | 16 | 11.3 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
CHEMBL265592 | 96932 | None | 0 | Human | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 1403 | 29 | 4 | 16 | 11.3 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
44380612 | 59210 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(Cl)cc2)cc1 | 10.1021/jm00121a017 | |||
CHEMBL170113 | 59210 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(Cl)cc2)cc1 | 10.1021/jm00121a017 | |||
44341975 | 9530 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 543 | 14 | 1 | 6 | 5.7 | CCN(CC)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC | 10.1021/jm00046a021 | |||
CHEMBL112208 | 9530 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 543 | 14 | 1 | 6 | 5.7 | CCN(CC)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC | 10.1021/jm00046a021 | |||
44380613 | 58512 | None | 0 | Human | Functional | pKd | = | 6.7 | 6.7 | - | 0 | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1cccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccc(Cl)c2)c1 | 10.1021/jm00121a017 | |||
CHEMBL168322 | 58512 | None | 0 | Human | Functional | pKd | = | 6.7 | 6.7 | - | 0 | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1cccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccc(Cl)c2)c1 | 10.1021/jm00121a017 | |||
154734599 | 2503 | None | 8 | Human | Functional | pKd | = | 7.7 | 7.7 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
327 | 2503 | None | 8 | Human | Functional | pKd | = | 7.7 | 7.7 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
4108 | 2503 | None | 8 | Human | Functional | pKd | = | 7.7 | 7.7 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
CHEMBL27673 | 2503 | None | 8 | Human | Functional | pKd | = | 7.7 | 7.7 | 47 | 5 | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
10049361 | 208579 | None | 0 | Human | Functional | pKd | = | 7.7 | 7.7 | - | 0 | ChEMBL | 448 | 5 | 0 | 2 | 5.8 | O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
CHEMBL85892 | 208579 | None | 0 | Human | Functional | pKd | = | 7.7 | 7.7 | - | 0 | ChEMBL | 448 | 5 | 0 | 2 | 5.8 | O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
9913892 | 208295 | None | 0 | Human | Functional | pKd | = | 5.7 | 5.7 | - | 0 | ChEMBL | 499 | 6 | 0 | 5 | 5.7 | O=C(c1ccc([N+](=O)[O-])s1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
CHEMBL83459 | 208295 | None | 0 | Human | Functional | pKd | = | 5.7 | 5.7 | - | 0 | ChEMBL | 499 | 6 | 0 | 5 | 5.7 | O=C(c1ccc([N+](=O)[O-])s1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
14537191 | 148077 | None | 0 | Human | Functional | pKd | = | 5.7 | 5.7 | - | 0 | ChEMBL | 357 | 8 | 2 | 5 | 3.3 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | |||
CHEMBL39342 | 148077 | None | 0 | Human | Functional | pKd | = | 5.7 | 5.7 | - | 0 | ChEMBL | 357 | 8 | 2 | 5 | 3.3 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | |||
10486393 | 141789 | None | 0 | Human | Functional | pKd | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | |||
CHEMBL1202000 | 141789 | None | 0 | Human | Functional | pKd | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | |||
CHEMBL385625 | 141789 | None | 0 | Human | Functional | pKd | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | |||
10794142 | 22944 | None | 0 | Human | Functional | pKd | = | 8.6 | 8.6 | - | 0 | ChEMBL | 635 | 25 | 3 | 7 | 6.6 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
CHEMBL132926 | 22944 | None | 0 | Human | Functional | pKd | = | 8.6 | 8.6 | - | 0 | ChEMBL | 635 | 25 | 3 | 7 | 6.6 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
1734 | 116 | None | 5 | Human | Functional | pKd | = | 8.6 | 8.6 | -97 | 6 | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | |||
307 | 116 | None | 5 | Human | Functional | pKd | = | 8.6 | 8.6 | -97 | 6 | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | |||
CHEMBL168067 | 116 | None | 5 | Human | Functional | pKd | = | 8.6 | 8.6 | -97 | 6 | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | |||
16086059 | 80806 | None | 0 | Rat | Functional | pKd | = | 6.7 | 6.7 | - | 0 | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
CHEMBL215180 | 80806 | None | 0 | Rat | Functional | pKd | = | 6.7 | 6.7 | - | 0 | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
10722780 | 22306 | None | 0 | Human | Functional | pKd | = | 6.7 | 6.7 | - | 0 | ChEMBL | 638 | 27 | 2 | 6 | 7.0 | COc1ccccc1CNCCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
CHEMBL132377 | 22306 | None | 0 | Human | Functional | pKd | = | 6.7 | 6.7 | - | 0 | ChEMBL | 638 | 27 | 2 | 6 | 7.0 | COc1ccccc1CNCCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
44355098 | 24711 | None | 0 | Human | Functional | pKd | = | 6.7 | 6.7 | - | 0 | ChEMBL | 540 | 26 | 4 | 6 | 6.1 | COc1ccccc1CNCCCCCCNCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
CHEMBL134382 | 24711 | None | 0 | Human | Functional | pKd | = | 6.7 | 6.7 | - | 0 | ChEMBL | 540 | 26 | 4 | 6 | 6.1 | COc1ccccc1CNCCCCCCNCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
44355099 | 165346 | None | 0 | Human | Functional | pKd | = | 7.6 | 7.6 | - | 0 | ChEMBL | 568 | 28 | 4 | 6 | 6.8 | COc1ccccc1CNCCCCCCNCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
CHEMBL422977 | 165346 | None | 0 | Human | Functional | pKd | = | 7.6 | 7.6 | - | 0 | ChEMBL | 568 | 28 | 4 | 6 | 6.8 | COc1ccccc1CNCCCCCCNCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
11365314 | 187458 | None | 0 | Human | Functional | pKd | = | 7.6 | 7.6 | - | 0 | ChEMBL | 473 | 8 | 2 | 4 | 4.8 | CCC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | |||
CHEMBL493266 | 187458 | None | 0 | Human | Functional | pKd | = | 7.6 | 7.6 | - | 0 | ChEMBL | 473 | 8 | 2 | 4 | 4.8 | CCC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | |||
44341764 | 9956 | None | 0 | Human | Functional | pKd | = | 6.6 | 6.6 | - | 0 | ChEMBL | 423 | 11 | 2 | 5 | 3.8 | CCN(CC)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL114681 | 9956 | None | 0 | Human | Functional | pKd | = | 6.6 | 6.6 | - | 0 | ChEMBL | 423 | 11 | 2 | 5 | 3.8 | CCN(CC)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
10402105 | 110554 | None | 0 | Human | Functional | pKd | = | 5.6 | 5.6 | - | 0 | ChEMBL | 292 | 12 | 1 | 3 | 3.7 | CCN(CC)CCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | |||
CHEMBL324855 | 110554 | None | 0 | Human | Functional | pKd | = | 5.6 | 5.6 | - | 0 | ChEMBL | 292 | 12 | 1 | 3 | 3.7 | CCN(CC)CCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | |||
14211056 | 107219 | None | 0 | Rat | Functional | pKd | = | 5.6 | 5.6 | - | 1 | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
CHEMBL316309 | 107219 | None | 0 | Rat | Functional | pKd | = | 5.6 | 5.6 | - | 1 | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
44380611 | 58841 | None | 0 | Human | Functional | pKd | = | 7.6 | 7.6 | - | 0 | ChEMBL | 614 | 29 | 4 | 6 | 8.7 | CSc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1SC | 10.1021/jm00121a017 | |||
CHEMBL168841 | 58841 | None | 0 | Human | Functional | pKd | = | 7.6 | 7.6 | - | 0 | ChEMBL | 614 | 29 | 4 | 6 | 8.7 | CSc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1SC | 10.1021/jm00121a017 | |||
44380972 | 120314 | None | 0 | Human | Functional | pKd | = | 7.6 | 7.6 | - | 0 | ChEMBL | 611 | 31 | 4 | 6 | 8.0 | COc1ccccc1CNCCCCCCCNCCCCCCCCNCCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
CHEMBL352334 | 120314 | None | 0 | Human | Functional | pKd | = | 7.6 | 7.6 | - | 0 | ChEMBL | 611 | 31 | 4 | 6 | 8.0 | COc1ccccc1CNCCCCCCCNCCCCCCCCNCCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
14939888 | 10164 | None | 0 | Human | Functional | pKd | = | 6.6 | 6.6 | - | 0 | ChEMBL | 370 | 21 | 2 | 4 | 4.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN | 10.1021/jm00046a021 | |||
CHEMBL115878 | 10164 | None | 0 | Human | Functional | pKd | = | 6.6 | 6.6 | - | 0 | ChEMBL | 370 | 21 | 2 | 4 | 4.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN | 10.1021/jm00046a021 | |||
44381066 | 59041 | None | 0 | Human | Functional | pKd | = | 6.5 | 6.5 | - | 0 | ChEMBL | 524 | 27 | 4 | 6 | 6.0 | c1cncc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccnc2)c1 | 10.1021/jm00121a017 | |||
CHEMBL169290 | 59041 | None | 0 | Human | Functional | pKd | = | 6.5 | 6.5 | - | 0 | ChEMBL | 524 | 27 | 4 | 6 | 6.0 | c1cncc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccnc2)c1 | 10.1021/jm00121a017 | |||
14939894 | 10298 | None | 0 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 0 | ChEMBL | 742 | 28 | 3 | 8 | 8.0 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL116172 | 10298 | None | 0 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 0 | ChEMBL | 742 | 28 | 3 | 8 | 8.0 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
44406598 | 73050 | None | 0 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 0 | ChEMBL | 325 | 3 | 1 | 3 | 2.8 | COC1(C#CC(O)(c2ccccc2)C2CCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL200957 | 73050 | None | 0 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 0 | ChEMBL | 325 | 3 | 1 | 3 | 2.8 | COC1(C#CC(O)(c2ccccc2)C2CCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
129989 | 451 | None | 33 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 1 | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | |||
8584 | 451 | None | 33 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 1 | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | |||
CHEMBL43383 | 451 | None | 33 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 1 | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | |||
71128 | 96863 | None | 21 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 0 | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00127a020 | |||
CHEMBL26505 | 96863 | None | 21 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 0 | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00127a020 | |||
66875589 | 103445 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 321 | 4 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084662 | 103445 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 321 | 4 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
44589576 | 189164 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 588 | 10 | 6 | 5 | 3.9 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL509520 | 189164 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 588 | 10 | 6 | 5 | 3.9 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL555706 | 189164 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 588 | 10 | 6 | 5 | 3.9 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
44406480 | 72869 | None | 0 | Human | Functional | pKd | = | 7.5 | 7.5 | - | 0 | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccccn2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL200210 | 72869 | None | 0 | Human | Functional | pKd | = | 7.5 | 7.5 | - | 0 | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccccn2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
44319009 | 106992 | None | 0 | Human | Functional | pKd | = | 7.5 | 7.5 | - | 0 | ChEMBL | 426 | 5 | 0 | 2 | 5.2 | O=C(C1CCC1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
CHEMBL314831 | 106992 | None | 0 | Human | Functional | pKd | = | 7.5 | 7.5 | - | 0 | ChEMBL | 426 | 5 | 0 | 2 | 5.2 | O=C(C1CCC1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | |||
11249888 | 187483 | None | 0 | Human | Functional | pKd | = | 6.5 | 6.5 | - | 0 | ChEMBL | 442 | 6 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C#N)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | |||
CHEMBL493465 | 187483 | None | 0 | Human | Functional | pKd | = | 6.5 | 6.5 | - | 0 | ChEMBL | 442 | 6 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C#N)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | |||
14537192 | 100278 | None | 0 | Human | Functional | pKd | = | 5.5 | 5.5 | - | 0 | ChEMBL | 428 | 9 | 1 | 6 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | |||
CHEMBL288482 | 100278 | None | 0 | Human | Functional | pKd | = | 5.5 | 5.5 | - | 0 | ChEMBL | 428 | 9 | 1 | 6 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | |||
189509 | 106056 | None | 10 | Rat | Functional | pKd | = | 5.5 | 5.5 | - | 1 | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
CHEMBL313227 | 106056 | None | 10 | Rat | Functional | pKd | = | 5.5 | 5.5 | - | 1 | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
44365882 | 58141 | None | 0 | Human | Functional | pKd | = | 7.4 | 7.4 | - | 0 | ChEMBL | 625 | 32 | 4 | 6 | 8.4 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
CHEMBL167690 | 58141 | None | 0 | Human | Functional | pKd | = | 7.4 | 7.4 | - | 0 | ChEMBL | 625 | 32 | 4 | 6 | 8.4 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
2028 | 2979 | None | 52 | Human | Functional | pKd | = | 7.4 | 7.4 | -7 | 14 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | |||
359 | 2979 | None | 52 | Human | Functional | pKd | = | 7.4 | 7.4 | -7 | 14 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | |||
4634 | 2979 | None | 52 | Human | Functional | pKd | = | 7.4 | 7.4 | -7 | 14 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | |||
4634.0 | 2979 | None | 52 | Human | Functional | pKd | = | 7.4 | 7.4 | -7 | 14 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL1231 | 2979 | None | 52 | Human | Functional | pKd | = | 7.4 | 7.4 | -7 | 14 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | |||
DB01062 | 2979 | None | 52 | Human | Functional | pKd | = | 7.4 | 7.4 | -7 | 14 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | |||
44406520 | 135327 | None | 0 | Human | Functional | pKd | = | 7.4 | 7.4 | - | 0 | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL372566 | 135327 | None | 0 | Human | Functional | pKd | = | 7.4 | 7.4 | - | 0 | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
15114860 | 107212 | None | 0 | Rat | Functional | pKd | = | 6.4 | 6.4 | - | 0 | ChEMBL | 210 | 3 | 1 | 4 | 1.0 | CC[C@@H]1C(O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
CHEMBL316282 | 107212 | None | 0 | Rat | Functional | pKd | = | 6.4 | 6.4 | - | 0 | ChEMBL | 210 | 3 | 1 | 4 | 1.0 | CC[C@@H]1C(O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
14211057 | 111488 | None | 0 | Rat | Functional | pKd | = | 5.4 | 5.4 | - | 1 | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
CHEMBL327363 | 111488 | None | 0 | Rat | Functional | pKd | = | 5.4 | 5.4 | - | 1 | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
10316726 | 12032 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | |||
CHEMBL1183364 | 12032 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | |||
CHEMBL292857 | 12032 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | |||
16115945 | 12301 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
CHEMBL1184886 | 12301 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
CHEMBL376057 | 12301 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
10606253 | 157365 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 1152 | 27 | 4 | 13 | 9.2 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
CHEMBL407678 | 157365 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 1152 | 27 | 4 | 13 | 9.2 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | |||
14939895 | 82150 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL1201997 | 82150 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL216629 | 82150 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
10055202 | 11537 | None | 1 | Human | Functional | pKd | = | 6.4 | 6.4 | - | 0 | ChEMBL | 667 | 27 | 0 | 6 | 7.6 | COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC | 10.1021/jm9810452 | |||
CHEMBL11805 | 11537 | None | 1 | Human | Functional | pKd | = | 6.4 | 6.4 | - | 0 | ChEMBL | 667 | 27 | 0 | 6 | 7.6 | COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC | 10.1021/jm9810452 | |||
14939897 | 96602 | None | 0 | Human | Functional | pKd | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL1201994 | 96602 | None | 0 | Human | Functional | pKd | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL262913 | 96602 | None | 0 | Human | Functional | pKd | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
44233192 | 106538 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084643 | 106538 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3140141 | 106538 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
11504490 | 192711 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | |||
CHEMBL521523 | 192711 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | |||
11504490 | 192711 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1016/j.bmcl.2009.01.098 | |||
CHEMBL521523 | 192711 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1016/j.bmcl.2009.01.098 | |||
44589582 | 171744 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 577 | 12 | 4 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL446587 | 171744 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 577 | 12 | 4 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL550885 | 171744 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 577 | 12 | 4 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
16042745 | 185407 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 551 | 8 | 4 | 5 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(CCCCCC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL485932 | 185407 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 551 | 8 | 4 | 5 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(CCCCCC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL538360 | 185407 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 551 | 8 | 4 | 5 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(CCCCCC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | |||
10557581 | 21781 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | |||
CHEMBL1202001 | 21781 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | |||
CHEMBL131913 | 21781 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | |||
10418181 | 9588 | None | 1 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL112500 | 9588 | None | 1 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL1201995 | 9588 | None | 1 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
9843814 | 127316 | None | 0 | Human | Functional | pKd | = | 7.3 | 7.3 | - | 0 | ChEMBL | 398 | 9 | 1 | 5 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1 | 10.1021/jm00127a020 | |||
CHEMBL36583 | 127316 | None | 0 | Human | Functional | pKd | = | 7.3 | 7.3 | - | 0 | ChEMBL | 398 | 9 | 1 | 5 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1 | 10.1021/jm00127a020 | |||
14449843 | 24830 | None | 0 | Human | Functional | pKd | = | 6.3 | 6.3 | - | 0 | ChEMBL | 610 | 27 | 4 | 6 | 6.3 | COc1ccccc1CNCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
CHEMBL134488 | 24830 | None | 0 | Human | Functional | pKd | = | 6.3 | 6.3 | - | 0 | ChEMBL | 610 | 27 | 4 | 6 | 6.3 | COc1ccccc1CNCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCNCc1ccccc1OC | 10.1021/jm9810452 | |||
14211049 | 107044 | None | 0 | Rat | Functional | pKd | = | 5.3 | 5.3 | - | 1 | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
CHEMBL315191 | 107044 | None | 0 | Rat | Functional | pKd | = | 5.3 | 5.3 | - | 1 | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
2200 | 3131 | None | 31 | Human | Functional | pKd | = | 4.3 | 4.3 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | |||
328 | 3131 | None | 31 | Human | Functional | pKd | = | 4.3 | 4.3 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | |||
4848 | 3131 | None | 31 | Human | Functional | pKd | = | 4.3 | 4.3 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | |||
4848.0 | 3131 | None | 31 | Human | Functional | pKd | = | 4.3 | 4.3 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | |||
CHEMBL9967 | 3131 | None | 31 | Human | Functional | pKd | = | 4.3 | 4.3 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | |||
DB00670 | 3131 | None | 31 | Human | Functional | pKd | = | 4.3 | 4.3 | -114 | 10 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | |||
44381142 | 59080 | None | 0 | Human | Functional | pKd | = | 7.3 | 7.3 | - | 0 | ChEMBL | 524 | 27 | 4 | 6 | 6.0 | c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccn2)nc1 | 10.1021/jm00121a017 | |||
CHEMBL169523 | 59080 | None | 0 | Human | Functional | pKd | = | 7.3 | 7.3 | - | 0 | ChEMBL | 524 | 27 | 4 | 6 | 6.0 | c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccn2)nc1 | 10.1021/jm00121a017 | |||
10653319 | 24251 | None | 0 | Human | Functional | pKd | = | 5.3 | 5.3 | - | 0 | ChEMBL | 901 | 24 | 3 | 10 | 7.3 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | |||
CHEMBL133993 | 24251 | None | 0 | Human | Functional | pKd | = | 5.3 | 5.3 | - | 0 | ChEMBL | 901 | 24 | 3 | 10 | 7.3 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | |||
44380591 | 58768 | None | 0 | Human | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 550 | 27 | 4 | 4 | 7.8 | Cc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1C | 10.1021/jm00121a017 | |||
CHEMBL168616 | 58768 | None | 0 | Human | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 550 | 27 | 4 | 4 | 7.8 | Cc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1C | 10.1021/jm00121a017 | |||
44406521 | 73932 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccncc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
CHEMBL201933 | 73932 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccncc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | |||
44233190 | 103457 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 335 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
CHEMBL3084679 | 103457 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 335 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | |||
44589578 | 173273 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)no1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL452193 | 173273 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)no1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL540401 | 173273 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)no1 | 10.1016/j.bmcl.2008.09.020 | |||
44589577 | 189076 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL508343 | 189076 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1 | 10.1016/j.bmcl.2008.09.020 | |||
CHEMBL540146 | 189076 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1 | 10.1016/j.bmcl.2008.09.020 | |||
25132856 | 187322 | None | 0 | Human | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 515 | 8 | 3 | 5 | 3.6 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | |||
CHEMBL492437 | 187322 | None | 0 | Human | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 515 | 8 | 3 | 5 | 3.6 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | |||
14537188 | 136633 | None | 0 | Human | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | |||
CHEMBL37372 | 136633 | None | 0 | Human | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | |||
14211052 | 208994 | None | 0 | Rat | Functional | pKd | = | 6.2 | 6.2 | - | 1 | ChEMBL | 240 | 3 | 0 | 4 | 2.7 | CC[C@H]1C(=S)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
CHEMBL88578 | 208994 | None | 0 | Rat | Functional | pKd | = | 6.2 | 6.2 | - | 1 | ChEMBL | 240 | 3 | 0 | 4 | 2.7 | CC[C@H]1C(=S)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | |||
44380614 | 57484 | None | 0 | Human | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1Cl | 10.1021/jm00121a017 | |||
CHEMBL165700 | 57484 | None | 0 | Human | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1Cl | 10.1021/jm00121a017 | |||
59993948 | 73167 | None | 0 | Human | Functional | pKd | = | 6.2 | 6.2 | - | 0 | ChEMBL | 556 | 8 | 1 | 6 | 5.3 | O=C(N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1coc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)n1 | 10.1016/j.bmc.2011.11.071 | |||
CHEMBL2011501 | 73167 | None | 0 | Human | Functional | pKd | = | 6.2 | 6.2 | - | 0 | ChEMBL | 556 | 8 | 1 | 6 | 5.3 | O=C(N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1coc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)n1 | 10.1016/j.bmc.2011.11.071 | |||
14537189 | 162738 | None | 0 | Human | Functional | pKd | = | 7.1 | 7.1 | - | 0 | ChEMBL | 412 | 9 | 0 | 5 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | |||
CHEMBL416974 | 162738 | None | 0 | Human | Functional | pKd | = | 7.1 | 7.1 | - | 0 | ChEMBL | 412 | 9 | 0 | 5 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | |||
14939893 | 9536 | None | 0 | Human | Functional | pKd | = | 8.1 | 8.1 | - | 0 | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
CHEMBL112244 | 9536 | None | 0 | Human | Functional | pKd | = | 8.1 | 8.1 | - | 0 | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | |||
10369736 | 59382 | None | 0 | Human | Functional | pKd | = | 8.1 | 8.1 | - | 0 | ChEMBL | 530 | 27 | 4 | 6 | 7.0 | Cc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(C)o2)o1 | 10.1021/jm00121a017 | |||
CHEMBL170793 | 59382 | None | 0 | Human | Functional | pKd | = | 8.1 | 8.1 | - | 0 | ChEMBL | 530 | 27 | 4 | 6 | 7.0 | Cc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(C)o2)o1 | 10.1021/jm00121a017 | |||
44381205 | 57544 | None | 0 | Human | Functional | pKd | = | 7.1 | 7.1 | - | 0 | ChEMBL | 522 | 27 | 4 | 4 | 7.2 | c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccc2)cc1 | 10.1021/jm00121a017 | |||
CHEMBL166232 | 57544 | None | 0 | Human | Functional | pKd | = | 7.1 | 7.1 | - | 0 | ChEMBL | 522 | 27 | 4 | 4 | 7.2 | c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccc2)cc1 | 10.1021/jm00121a017 | |||
10508599 | 115293 | None | 0 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 0 | ChEMBL | 663 | 23 | 3 | 7 | 5.6 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | |||
CHEMBL334690 | 115293 | None | 0 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 0 | ChEMBL | 663 | 23 | 3 | 7 | 5.6 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | |||
44381378 | 57543 | None | 0 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 0 | ChEMBL | 502 | 27 | 4 | 6 | 6.4 | c1coc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccco2)c1 | 10.1021/jm00121a017 | |||
CHEMBL166229 | 57543 | None | 0 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 0 | ChEMBL | 502 | 27 | 4 | 6 | 6.4 | c1coc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccco2)c1 | 10.1021/jm00121a017 | |||
129989 | 451 | None | 33 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 1 | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | |||
8584 | 451 | None | 33 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 1 | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | |||
CHEMBL43383 | 451 | None | 33 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 1 | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | |||
10651844 | 115553 | None | 0 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 0 | ChEMBL | 649 | 22 | 3 | 7 | 5.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | |||
CHEMBL335115 | 115553 | None | 0 | Human | Functional | pKd | = | 8.0 | 8.0 | - | 0 | ChEMBL | 649 | 22 | 3 | 7 | 5.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | |||
14914761 | 9966 | None | 0 | Human | Functional | pKd | = | 7.0 | 7.0 | - | 0 | ChEMBL | 462 | 25 | 4 | 5 | 5.4 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCN | 10.1021/jm00046a021 | |||
CHEMBL114738 | 9966 | None | 0 | Human | Functional | pKd | = | 7.0 | 7.0 | - | 0 | ChEMBL | 462 | 25 | 4 | 5 | 5.4 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCN | 10.1021/jm00046a021 | |||
44380975 | 57624 | None | 0 | Human | Functional | pKd | = | 7.0 | 7.0 | - | 0 | ChEMBL | 612 | 29 | 4 | 8 | 7.0 | O=[N+]([O-])c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm00121a017 | |||
CHEMBL166803 | 57624 | None | 0 | Human | Functional | pKd | = | 7.0 | 7.0 | - | 0 | ChEMBL | 612 | 29 | 4 | 8 | 7.0 | O=[N+]([O-])c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm00121a017 | |||
44365718 | 58803 | None | 0 | Human | Functional | pKd | = | 7.0 | 7.0 | - | 0 | ChEMBL | 653 | 34 | 4 | 6 | 9.2 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
CHEMBL168786 | 58803 | None | 0 | Human | Functional | pKd | = | 7.0 | 7.0 | - | 0 | ChEMBL | 653 | 34 | 4 | 6 | 9.2 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | |||
9916852 | 207377 | None | 0 | Human | Functional | pKi | = | 11 | 11.0 | - | 0 | ChEMBL | 606 | 8 | 0 | 9 | 3.4 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL76164 | 207377 | None | 0 | Human | Functional | pKi | = | 11 | 11.0 | - | 0 | ChEMBL | 606 | 8 | 0 | 9 | 3.4 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(01)00435-8 | |||
44314347 | 102918 | None | 0 | Human | Functional | pKi | = | 9.9 | 9.9 | - | 0 | ChEMBL | 640 | 7 | 0 | 7 | 5.9 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL305693 | 102918 | None | 0 | Human | Functional | pKi | = | 9.9 | 9.9 | - | 0 | ChEMBL | 640 | 7 | 0 | 7 | 5.9 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
10230930 | 80665 | None | 0 | Human | Functional | pKi | = | 9.8 | 9.8 | - | 0 | ChEMBL | 548 | 13 | 1 | 5 | 5.7 | CCN(CC)CCOc1ccc(CN2CCC(C3CCN(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)cc1 | 10.1021/jm100064d | |||
CHEMBL2151158 | 80665 | None | 0 | Human | Functional | pKi | = | 9.8 | 9.8 | - | 0 | ChEMBL | 548 | 13 | 1 | 5 | 5.7 | CCN(CC)CCOc1ccc(CN2CCC(C3CCN(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)cc1 | 10.1021/jm100064d | |||
44314697 | 104235 | None | 0 | Human | Functional | pKi | = | 9.7 | 9.7 | - | 0 | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL309720 | 104235 | None | 0 | Human | Functional | pKi | = | 9.7 | 9.7 | - | 0 | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
44314564 | 207266 | None | 0 | Human | Functional | pKi | = | 9.6 | 9.6 | - | 0 | ChEMBL | 676 | 7 | 0 | 7 | 6.2 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cc(F)cc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL75108 | 207266 | None | 0 | Human | Functional | pKi | = | 9.6 | 9.6 | - | 0 | ChEMBL | 676 | 7 | 0 | 7 | 6.2 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cc(F)cc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
164610746 | 188574 | None | 0 | Human | Functional | pKi | = | 9.6 | 9.6 | - | 0 | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
CHEMBL4854886 | 188574 | None | 0 | Human | Functional | pKi | = | 9.6 | 9.6 | - | 0 | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
CHEMBL5028038 | 188574 | None | 0 | Human | Functional | pKi | = | 9.6 | 9.6 | - | 0 | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
44314328 | 103766 | None | 0 | Human | Functional | pKi | = | 9.5 | 9.5 | - | 0 | ChEMBL | 676 | 7 | 0 | 7 | 6.2 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)ccc(F)c67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL308787 | 103766 | None | 0 | Human | Functional | pKi | = | 9.5 | 9.5 | - | 0 | ChEMBL | 676 | 7 | 0 | 7 | 6.2 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)ccc(F)c67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
10417432 | 104930 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 0 | ChEMBL | 718 | 7 | 0 | 7 | 6.7 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(Br)cccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL311099 | 104930 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 0 | ChEMBL | 718 | 7 | 0 | 7 | 6.7 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(Br)cccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
10009554 | 207169 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 0 | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)c7ccccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL74141 | 207169 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 0 | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)c7ccccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
44314698 | 207610 | None | 0 | Human | Functional | pKi | = | 9.1 | 9.1 | - | 0 | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(F)ccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL78131 | 207610 | None | 0 | Human | Functional | pKi | = | 9.1 | 9.1 | - | 0 | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(F)ccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
164610746 | 188574 | None | 0 | Human | Functional | pKi | = | 9.1 | 9.1 | - | 0 | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
CHEMBL4854886 | 188574 | None | 0 | Human | Functional | pKi | = | 9.1 | 9.1 | - | 0 | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
CHEMBL5028038 | 188574 | None | 0 | Human | Functional | pKi | = | 9.1 | 9.1 | - | 0 | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
44314329 | 207014 | None | 0 | Human | Functional | pKi | = | 9 | 9.0 | - | 0 | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cccc(F)c67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL72932 | 207014 | None | 0 | Human | Functional | pKi | = | 9 | 9.0 | - | 0 | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cccc(F)c67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
44314699 | 103234 | None | 0 | Human | Functional | pKi | = | 8.9 | 8.9 | - | 0 | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccc(F)cc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL308166 | 103234 | None | 0 | Human | Functional | pKi | = | 8.9 | 8.9 | - | 0 | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccc(F)cc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
44314713 | 104926 | None | 0 | Human | Functional | pKi | = | 8.9 | 8.9 | - | 0 | ChEMBL | 674 | 7 | 0 | 7 | 6.6 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(Cl)ccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL311054 | 104926 | None | 0 | Human | Functional | pKi | = | 8.9 | 8.9 | - | 0 | ChEMBL | 674 | 7 | 0 | 7 | 6.6 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(Cl)ccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | |||
164615651 | 188618 | None | 0 | Human | Functional | pKi | = | 7 | 7.0 | - | 0 | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
CHEMBL4852079 | 188618 | None | 0 | Human | Functional | pKi | = | 7 | 7.0 | - | 0 | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
CHEMBL5028329 | 188618 | None | 0 | Human | Functional | pKi | = | 7 | 7.0 | - | 0 | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
164614830 | 188607 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
CHEMBL4858774 | 188607 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
CHEMBL5028275 | 188607 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
44314554 | 105739 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 592 | 9 | 0 | 8 | 3.6 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(01)00435-8 | |||
CHEMBL312571 | 105739 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 592 | 9 | 0 | 8 | 3.6 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(01)00435-8 | |||
3009356 | 105679 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | ChEMBL | 543 | 6 | 0 | 5 | 5.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | |||
CHEMBL312344 | 105679 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | ChEMBL | 543 | 6 | 0 | 5 | 5.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | |||
483747 | 105465 | None | 1 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 1 | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | |||
CHEMBL311795 | 105465 | None | 1 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 1 | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | |||
3009352 | 96692 | None | 0 | Human | Functional | pKi | = | 5.3 | 5.3 | - | 0 | ChEMBL | 517 | 5 | 0 | 5 | 5.3 | CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | |||
CHEMBL263555 | 96692 | None | 0 | Human | Functional | pKi | = | 5.3 | 5.3 | - | 0 | ChEMBL | 517 | 5 | 0 | 5 | 5.3 | CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | |||
3009353 | 168128 | None | 0 | Human | Functional | pKi | = | 5.3 | 5.3 | - | 0 | ChEMBL | 531 | 6 | 0 | 5 | 5.7 | CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | |||
CHEMBL432170 | 168128 | None | 0 | Human | Functional | pKi | = | 5.3 | 5.3 | - | 0 | ChEMBL | 531 | 6 | 0 | 5 | 5.7 | CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | |||
1935 | 3734 | None | 62 | Human | Functional | pKi | = | 5.2 | 5.2 | -57 | 12 | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | |||
2551 | 3734 | None | 62 | Human | Functional | pKi | = | 5.2 | 5.2 | -57 | 12 | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | |||
6687 | 3734 | None | 62 | Human | Functional | pKi | = | 5.2 | 5.2 | -57 | 12 | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | |||
CHEMBL95 | 3734 | None | 62 | Human | Functional | pKi | = | 5.2 | 5.2 | -57 | 12 | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | |||
DB00382 | 3734 | None | 62 | Human | Functional | pKi | = | 5.2 | 5.2 | -57 | 12 | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | |||
164615651 | 188618 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
CHEMBL4852079 | 188618 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
CHEMBL5028329 | 188618 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
313 | 2691 | None | 0 | Human | Functional | pA2 | < | 6.3 | 6.3 | - | 1 | Guide to Pharmacology | None | None | None | None | 9862767 | |||||
2520 | 206466 | None | 47 | Pig | Functional | pEC50 | = | 8.4 | 8.4 | -3 | 20 | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
CHEMBL1280 | 206466 | None | 47 | Pig | Functional | pEC50 | = | 8.4 | 8.4 | -3 | 20 | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
CHEMBL6966 | 206466 | None | 47 | Pig | Functional | pEC50 | = | 8.4 | 8.4 | -3 | 20 | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
1935 | 3734 | None | 62 | Pig | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 12 | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | |||
2551 | 3734 | None | 62 | Pig | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 12 | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | |||
6687 | 3734 | None | 62 | Pig | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 12 | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | |||
CHEMBL95 | 3734 | None | 62 | Pig | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 12 | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | |||
DB00382 | 3734 | None | 62 | Pig | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 12 | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | |||
1979 | 77355 | None | 47 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -43 | 7 | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | |||
CHEMBL20835 | 77355 | None | 47 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -43 | 7 | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | |||
123603 | 883 | None | 21 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -22 | 5 | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | |||
2684 | 883 | None | 21 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -22 | 5 | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | |||
2684.0 | 883 | None | 21 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -22 | 5 | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | |||
584 | 883 | None | 21 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -22 | 5 | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | |||
9658 | 883 | None | 21 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -22 | 5 | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | |||
CHEMBL168815 | 883 | None | 21 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -22 | 5 | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | |||
DB00185 | 883 | None | 21 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -22 | 5 | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | |||
2370 | 623 | None | 23 | Guinea pig | Functional | pEC50 | = | 8.2 | 8.2 | 19 | 3 | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | |||
2370.0 | 623 | None | 23 | Guinea pig | Functional | pEC50 | = | 8.2 | 8.2 | 19 | 3 | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | |||
297 | 623 | None | 23 | Guinea pig | Functional | pEC50 | = | 8.2 | 8.2 | 19 | 3 | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | |||
358 | 623 | None | 23 | Guinea pig | Functional | pEC50 | = | 8.2 | 8.2 | 19 | 3 | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | |||
CHEMBL1482 | 623 | None | 23 | Guinea pig | Functional | pEC50 | = | 8.2 | 8.2 | 19 | 3 | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | |||
DB01019 | 623 | None | 23 | Guinea pig | Functional | pEC50 | = | 8.2 | 8.2 | 19 | 3 | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | |||
1273 | 1754 | None | 13 | Pig | Functional | pEC50 | = | 8.2 | 8.2 | 38 | 4 | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | |||
3450 | 1754 | None | 13 | Pig | Functional | pEC50 | = | 8.2 | 8.2 | 38 | 4 | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | |||
356 | 1754 | None | 13 | Pig | Functional | pEC50 | = | 8.2 | 8.2 | 38 | 4 | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | |||
6172 | 1754 | None | 13 | Pig | Functional | pEC50 | = | 8.2 | 8.2 | 38 | 4 | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | |||
67425 | 1754 | None | 13 | Pig | Functional | pEC50 | = | 8.2 | 8.2 | 38 | 4 | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | |||
CHEMBL360055 | 1754 | None | 13 | Pig | Functional | pEC50 | = | 8.2 | 8.2 | 38 | 4 | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | |||
DB00483 | 1754 | None | 13 | Pig | Functional | pEC50 | = | 8.2 | 8.2 | 38 | 4 | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | |||
2166 | 3123 | None | 33 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -28 | 10 | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | |||
305 | 3123 | None | 33 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -28 | 10 | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | |||
5910 | 3123 | None | 33 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -28 | 10 | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | |||
5910.0 | 3123 | None | 33 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -28 | 10 | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | |||
CHEMBL550 | 3123 | None | 33 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -28 | 10 | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | |||
DB01085 | 3123 | None | 33 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -28 | 10 | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | |||
5831 | 218453 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | |||
5831.0 | 218453 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | |||
CHEMBL965 | 218453 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | |||
DB00411 | 218453 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | |||
21158560 | 112856 | None | 8 | Pig | Functional | pEC50 | = | 8.1 | 8.1 | 3090 | 2 | Drug Central | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | None | |||
CHEMBL3305985 | 112856 | None | 8 | Pig | Functional | pEC50 | = | 8.1 | 8.1 | 3090 | 2 | Drug Central | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | None | |||
13637 | 579 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | Guide to Pharmacology | 584 | 5 | 3 | 7 | 2.8 | C[C@H](NC(=O)C1=CN(C2=NC(N3C[C@@H](O)[C@H](O)C3)=C(F)C=C2C1=O)C4=C(F)C=C(F)C=C4F)C(F)(F)C(F)(F)F | 39463278 | |||
10101670 | 1509 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 52 | 2 | Guide to Pharmacology | 602 | 12 | 0 | 4 | 7.1 | Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl | 16157694 | |||
7635 | 1509 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 52 | 2 | Guide to Pharmacology | 602 | 12 | 0 | 4 | 7.1 | Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl | 16157694 | |||
CHEMBL32985 | 1509 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 52 | 2 | Guide to Pharmacology | 602 | 12 | 0 | 4 | 7.1 | Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl | 16157694 | |||
10104167 | 2059 | None | 2 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 3 | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 23062057 | |||
10104167 | 2059 | None | 2 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 3 | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 24863257 | |||
6937 | 2059 | None | 2 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 3 | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 23062057 | |||
6937 | 2059 | None | 2 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 3 | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 24863257 | |||
CHEMBL3121473 | 2059 | None | 2 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 3 | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 23062057 | |||
CHEMBL3121473 | 2059 | None | 2 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 3 | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 24863257 | |||
288 | 252 | None | 0 | Human | Functional | pEC50 | None | 5.7 | 5.7 | 3 | 5 | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 17392404 | |||
288 | 252 | None | 0 | Human | Functional | pEC50 | None | 5.7 | 5.7 | 3 | 5 | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | |||
6979053 | 252 | None | 0 | Human | Functional | pEC50 | None | 5.7 | 5.7 | 3 | 5 | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 17392404 | |||
6979053 | 252 | None | 0 | Human | Functional | pEC50 | None | 5.7 | 5.7 | 3 | 5 | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | |||
286 | 251 | None | 0 | Human | Functional | pEC50 | None | 6.3 | 6.3 | 3 | 5 | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 17392404 | |||
286 | 251 | None | 0 | Human | Functional | pEC50 | None | 6.3 | 6.3 | 3 | 5 | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | |||
6954180 | 251 | None | 0 | Human | Functional | pEC50 | None | 6.3 | 6.3 | 3 | 5 | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 17392404 | |||
6954180 | 251 | None | 0 | Human | Functional | pEC50 | None | 6.3 | 6.3 | 3 | 5 | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | |||
18381 | 220193 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -1 | 4 | Drug Central | 469 | 4 | 2 | 6 | 3.2 | CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl | None | |||
11434515 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | |||
11434515 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
11434515.0 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | |||
11434515.0 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
11519741 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | |||
11519741 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
4484 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | |||
4484 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
7449 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | |||
7449 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
CHEMBL1194325 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | |||
CHEMBL1194325 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
DB08897 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | |||
DB08897 | 261 | None | 6 | Human | Functional | pIC50 | = | 10.1 | 10.1 | 1 | 11 | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
1935 | 3734 | None | 62 | Mouse | Functional | pIC50 | = | 5.7 | 5.7 | -19 | 12 | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | |||
2551 | 3734 | None | 62 | Mouse | Functional | pIC50 | = | 5.7 | 5.7 | -19 | 12 | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | |||
6687 | 3734 | None | 62 | Mouse | Functional | pIC50 | = | 5.7 | 5.7 | -19 | 12 | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | |||
CHEMBL95 | 3734 | None | 62 | Mouse | Functional | pIC50 | = | 5.7 | 5.7 | -19 | 12 | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | |||
DB00382 | 3734 | None | 62 | Mouse | Functional | pIC50 | = | 5.7 | 5.7 | -19 | 12 | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | |||
154059 | 3637 | None | 37 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -4 | 3 | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | |||
154059.0 | 3637 | None | 37 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -4 | 3 | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | |||
2457 | 3637 | None | 37 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -4 | 3 | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | |||
7483 | 3637 | None | 37 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -4 | 3 | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | |||
CHEMBL1734 | 3637 | None | 37 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -4 | 3 | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | |||
DB01591 | 3637 | None | 37 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -4 | 3 | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | |||
11693 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
11693 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
3494 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
3494 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
3494.0 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
3494.0 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
4302 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
4302 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
7459 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
7459 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
9933193 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
9933193 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
9933193.0 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
9933193.0 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
CHEMBL1201335 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
CHEMBL1201335 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
DB00986 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
DB00986 | 1827 | None | 12 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 7 | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
3000322 | 3562 | None | 29 | Human | Binding | pAC50 | = | 9.2 | 9.2 | -8 | 8 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
3000322.0 | 3562 | None | 29 | Human | Binding | pAC50 | = | 9.2 | 9.2 | -8 | 8 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
330 | 3562 | None | 29 | Human | Binding | pAC50 | = | 9.2 | 9.2 | -8 | 8 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL569713 | 3562 | None | 29 | Human | Binding | pAC50 | = | 9.2 | 9.2 | -8 | 8 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
DB00747 | 3562 | None | 29 | Human | Binding | pAC50 | = | 9.2 | 9.2 | -8 | 8 | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1038/s41467-023-40064-9 | |||
11434515 | 261 | None | 6 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -6 | 5 | 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 | |||
11434515.0 | 261 | None | 6 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -6 | 5 | 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 | None | 6 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -6 | 5 | 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 | None | 6 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -6 | 5 | 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 | None | 6 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -6 | 5 | 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 | None | 6 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -6 | 5 | 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 | None | 6 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -6 | 5 | 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 | |||
367 | 3824 | None | 10 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 9 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
5487427 | 3824 | None | 10 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 9 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
5487427.0 | 3824 | None | 10 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 9 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
8592 | 3824 | None | 10 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 9 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1900528 | 3824 | None | 10 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 9 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3305968 | 3824 | None | 10 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 9 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
CHEMBL4650755 | 3824 | None | 10 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 9 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
DB01409 | 3824 | None | 10 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 9 | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
11693 | 1827 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
3494 | 1827 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
3494.0 | 1827 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
4302 | 1827 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
7459 | 1827 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
9933193 | 1827 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
9933193.0 | 1827 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201335 | 1827 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
DB00986 | 1827 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
25897919 | 55668 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
657308 | 55668 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
657309 | 55668 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1621597 | 55668 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
DB00332 | 55668 | None | 12 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
25897919 | 55668 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
657308 | 55668 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
657309 | 55668 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1621597 | 55668 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
DB00332 | 55668 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
11693 | 1827 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
3494 | 1827 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
3494.0 | 1827 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
4302 | 1827 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
7459 | 1827 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
9933193 | 1827 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
9933193.0 | 1827 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201335 | 1827 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
DB00986 | 1827 | None | 12 | Human | Binding | pAC50 | = | 8.9 | 8.9 | -2 | 5 | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
2705 | 3842 | None | 44 | Human | Binding | pAC50 | = | 8.0 | 8.0 | -1 | 11 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
360 | 3842 | None | 44 | Human | Binding | pAC50 | = | 8.0 | 8.0 | -1 | 11 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
443879 | 3842 | None | 44 | Human | Binding | pAC50 | = | 8.0 | 8.0 | -1 | 11 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
443879.0 | 3842 | None | 44 | Human | Binding | pAC50 | = | 8.0 | 8.0 | -1 | 11 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1382 | 3842 | None | 44 | Human | Binding | pAC50 | = | 8.0 | 8.0 | -1 | 11 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
DB01036 | 3842 | None | 44 | Human | Binding | pAC50 | = | 8.0 | 8.0 | -1 | 11 | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
3157 | 1470 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 11 | 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 | |||
3157.0 | 1470 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 11 | 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 | 1470 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 11 | 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 | 1470 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 11 | 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 | 1470 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 11 | 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 | 1470 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 11 | 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 | |||
242 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
34 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
60795 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
60795.0 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL1112 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
DB01238 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
133 | 2496 | None | 39 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 42 | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | |||
1723 | 2496 | None | 39 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 42 | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | |||
28693 | 2496 | None | 39 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 42 | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | |||
CHEMBL19215 | 2496 | None | 39 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 42 | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | |||
DB13520 | 2496 | None | 39 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 42 | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | |||
16119814 | 56359 | None | 20 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 1093 | 23 | 16 | 18 | -3.3 | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1630575 | 56359 | None | 20 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 1093 | 23 | 16 | 18 | -3.3 | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O | 10.1038/s41467-023-40064-9 | |||
441383 | 20340 | None | 41 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -28 | 17 | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1306 | 20340 | None | 41 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -28 | 17 | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
2335 | 11852 | None | 18 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -2 | 12 | 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 | 11852 | None | 18 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -2 | 12 | 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 | 11852 | None | 18 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -2 | 12 | 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 | 11852 | None | 18 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -2 | 12 | 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 | |||
4919 | 208692 | None | 16 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -3 | 9 | ChEMBL | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
4919.0 | 208692 | None | 16 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -3 | 9 | ChEMBL | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL86715 | 208692 | None | 16 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -3 | 9 | ChEMBL | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB00387 | 208692 | None | 16 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -3 | 9 | ChEMBL | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
3652 | 4097 | None | 50 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -18 | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
57 | 4097 | None | 50 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -18 | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
60809 | 4097 | None | 50 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -18 | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
60809.0 | 4097 | None | 50 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -18 | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL21536 | 4097 | None | 50 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -18 | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
DB15357 | 4097 | None | 50 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -18 | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
3152 | 188518 | None | 61 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL502 | 188518 | None | 61 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
2200 | 3131 | None | 31 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
328 | 3131 | None | 31 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
4848 | 3131 | None | 31 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
4848.0 | 3131 | None | 31 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL9967 | 3131 | None | 31 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
DB00670 | 3131 | None | 31 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
1613 | 2348 | None | 42 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
205 | 2348 | None | 42 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
3964 | 2348 | None | 42 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
3964.0 | 2348 | None | 42 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL831 | 2348 | None | 42 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
DB00408 | 2348 | None | 42 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -35 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
43815 | 187026 | None | 38 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -15 | 24 | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1708 | 187026 | None | 38 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -15 | 24 | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL490 | 187026 | None | 38 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -15 | 24 | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
1209 | 1658 | None | 52 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -22 | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
203 | 1658 | None | 52 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -22 | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3386 | 1658 | None | 52 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -22 | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL41 | 1658 | None | 52 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -22 | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00472 | 1658 | None | 52 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -22 | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
5994 | 4643 | None | 51 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | |||
CHEMBL103 | 4643 | None | 51 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | |||
2200 | 3131 | None | 31 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
328 | 3131 | None | 31 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
4848 | 3131 | None | 31 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
4848.0 | 3131 | None | 31 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL9967 | 3131 | None | 31 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
DB00670 | 3131 | None | 31 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -35 | 12 | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1038/s41467-023-40064-9 | |||
5050 | 78229 | None | 41 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 355 | 4 | 1 | 5 | 3.5 | Cc1ccc2c([nH]c(=O)c3c(=O)cc(C(=O)OCCC(C)C)oc32)c1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL2105300 | 78229 | None | 41 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 355 | 4 | 1 | 5 | 3.5 | Cc1ccc2c([nH]c(=O)c3c(=O)cc(C(=O)OCCC(C)C)oc32)c1C | 10.1038/s41467-023-40064-9 | |||
31315 | 93461 | None | 51 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 317 | 2 | 3 | 3 | 3.4 | O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL245807 | 93461 | None | 51 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 317 | 2 | 3 | 3 | 3.4 | O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
5353853 | 17993 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 15 | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
9556529 | 17993 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 15 | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1262 | 17993 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 15 | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
2018 | 3007 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
9941444 | 3007 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
CHEMBL3349607 | 3007 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
DB06663 | 3007 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
3775 | 14481 | None | 19 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 353 | 8 | 1 | 1 | 4.1 | CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
3775.0 | 14481 | None | 19 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 353 | 8 | 1 | 1 | 4.1 | CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201232 | 14481 | None | 19 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 353 | 8 | 1 | 1 | 4.1 | CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
DB01625 | 14481 | None | 19 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 353 | 8 | 1 | 1 | 4.1 | CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
4097 | 14488 | None | 8 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 340 | 6 | 0 | 3 | 4.0 | CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
4097.0 | 14488 | None | 8 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 340 | 6 | 0 | 3 | 4.0 | CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201264 | 14488 | None | 8 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 340 | 6 | 0 | 3 | 4.0 | CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB00940 | 14488 | None | 8 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 340 | 6 | 0 | 3 | 4.0 | CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
2774 | 3868 | None | 59 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 10 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
5593 | 3868 | None | 59 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 10 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
5593.0 | 3868 | None | 59 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 10 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
7319 | 3868 | None | 59 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 10 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1200604 | 3868 | None | 59 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 10 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
DB00809 | 3868 | None | 59 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 10 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
DB01199 | 3868 | None | 59 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 10 | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 10.1038/s41467-023-40064-9 | |||
2402 | 3370 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 25 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
5095 | 3370 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 25 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
5095.0 | 3370 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 25 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
7295 | 3370 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 25 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL589 | 3370 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 25 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
DB00268 | 3370 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 25 | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | |||
15387 | 45836 | None | 41 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -16 | 23 | ChEMBL | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1531134 | 45836 | None | 41 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -16 | 23 | ChEMBL | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
1273 | 1754 | None | 13 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1038/s41467-023-40064-9 | |||
3450 | 1754 | None | 13 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1038/s41467-023-40064-9 | |||
356 | 1754 | None | 13 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1038/s41467-023-40064-9 | |||
6172 | 1754 | None | 13 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1038/s41467-023-40064-9 | |||
67425 | 1754 | None | 13 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1038/s41467-023-40064-9 | |||
CHEMBL360055 | 1754 | None | 13 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1038/s41467-023-40064-9 | |||
DB00483 | 1754 | None | 13 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1038/s41467-023-40064-9 | |||
4904 | 155611 | None | 29 | Human | Binding | pAC50 | = | 6.9 | 6.9 | -1 | 5 | ChEMBL | 295 | 5 | 1 | 2 | 3.8 | OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL404215 | 155611 | None | 29 | Human | Binding | pAC50 | = | 6.9 | 6.9 | -1 | 5 | ChEMBL | 295 | 5 | 1 | 2 | 3.8 | OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4209 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
4893 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
4893.0 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
503 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
5385 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
DB00457 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
176870 | 197941 | None | 62 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 393 | 10 | 1 | 7 | 3.4 | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL553 | 197941 | None | 62 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 393 | 10 | 1 | 7 | 3.4 | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 | 10.1038/s41467-023-40064-9 | |||
4209 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
4893 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
4893.0 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
503 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
5385 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
DB00457 | 3163 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
3678 | 94845 | None | 37 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
3678.0 | 94845 | None | 37 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL253371 | 94845 | None | 37 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB01616 | 94845 | None | 37 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
460612 | 208502 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 304 | 8 | 2 | 3 | 1.9 | N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
6918992 | 208502 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 304 | 8 | 2 | 3 | 1.9 | N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL852 | 208502 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 304 | 8 | 2 | 3 | 1.9 | N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
5282592 | 14482 | None | 2 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 290 | 3 | 1 | 3 | 2.0 | C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
5282592.0 | 14482 | None | 2 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 290 | 3 | 1 | 3 | 2.0 | C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
6646 | 14482 | None | 2 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 290 | 3 | 1 | 3 | 2.0 | C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
6646.0 | 14482 | None | 2 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 290 | 3 | 1 | 3 | 2.0 | C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1200851 | 14482 | None | 2 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 290 | 3 | 1 | 3 | 2.0 | C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201235 | 14482 | None | 2 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 290 | 3 | 1 | 3 | 2.0 | C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1615437 | 14482 | None | 2 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 290 | 3 | 1 | 3 | 2.0 | C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
DB00725 | 14482 | None | 2 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 290 | 3 | 1 | 3 | 2.0 | C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
16222096 | 80514 | None | 50 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 531 | 4 | 3 | 4 | 3.8 | O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2146883 | 80514 | None | 50 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 531 | 4 | 3 | 4 | 3.8 | O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1 | 10.1038/s41467-023-40064-9 | |||
6918456 | 14521 | None | 67 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 373 | 5 | 0 | 5 | 3.9 | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 10.1038/s41467-023-40064-9 | |||
6918456.0 | 14521 | None | 67 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 373 | 5 | 0 | 5 | 3.9 | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201772 | 14521 | None | 67 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 373 | 5 | 0 | 5 | 3.9 | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 10.1038/s41467-023-40064-9 | |||
DB06209 | 14521 | None | 67 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 373 | 5 | 0 | 5 | 3.9 | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 10.1038/s41467-023-40064-9 | |||
103 | 4153 | None | 44 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -177 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2875 | 4153 | None | 44 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -177 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
5736 | 4153 | None | 44 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -177 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL285802 | 4153 | None | 44 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -177 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB09225 | 4153 | None | 44 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -177 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2444 | 14484 | None | 20 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 2 | ChEMBL | 333 | 6 | 0 | 2 | 4.1 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 10.1038/s41467-023-40064-9 | |||
2444.0 | 14484 | None | 20 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 2 | ChEMBL | 333 | 6 | 0 | 2 | 4.1 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201245 | 14484 | None | 20 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 2 | ChEMBL | 333 | 6 | 0 | 2 | 4.1 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 10.1038/s41467-023-40064-9 | |||
DB01237 | 14484 | None | 20 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 2 | ChEMBL | 333 | 6 | 0 | 2 | 4.1 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 10.1038/s41467-023-40064-9 | |||
1201549 | 597 | None | 17 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 20 | 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 | |||
1201549.0 | 597 | None | 17 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 20 | 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 | 597 | None | 17 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 20 | 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 | 597 | None | 17 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 20 | 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 | 597 | None | 17 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 20 | 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 | 597 | None | 17 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 20 | 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 | 597 | None | 17 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 20 | 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 | |||
24958200 | 8576 | None | 54 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 320 | 3 | 2 | 4 | 2.6 | NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1094636 | 8576 | None | 54 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 320 | 3 | 2 | 4 | 2.6 | NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12 | 10.1038/s41467-023-40064-9 | |||
5523 | 3851 | None | 17 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 4 | ChEMBL | 263 | 4 | 1 | 3 | 2.6 | COc1cccc(c1)C1(O)CCCCC1CN(C)C | 10.1038/s41467-023-40064-9 | |||
5523.0 | 3851 | None | 17 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 4 | ChEMBL | 263 | 4 | 1 | 3 | 2.6 | COc1cccc(c1)C1(O)CCCCC1CN(C)C | 10.1038/s41467-023-40064-9 | |||
8286 | 3851 | None | 17 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 4 | ChEMBL | 263 | 4 | 1 | 3 | 2.6 | COc1cccc(c1)C1(O)CCCCC1CN(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1237044 | 3851 | None | 17 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 4 | ChEMBL | 263 | 4 | 1 | 3 | 2.6 | COc1cccc(c1)C1(O)CCCCC1CN(C)C | 10.1038/s41467-023-40064-9 | |||
DB00193 | 3851 | None | 17 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 4 | ChEMBL | 263 | 4 | 1 | 3 | 2.6 | COc1cccc(c1)C1(O)CCCCC1CN(C)C | 10.1038/s41467-023-40064-9 | |||
5426 | 178790 | None | 69 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 258 | 1 | 1 | 4 | 0.1 | O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL468 | 178790 | None | 69 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 258 | 1 | 1 | 4 | 0.1 | O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1 | 10.1038/s41467-023-40064-9 | |||
135398745 | 2914 | None | 65 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -38 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
135398745.0 | 2914 | None | 65 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -38 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
47 | 2914 | None | 65 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -38 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL715 | 2914 | None | 65 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -38 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00334 | 2914 | None | 65 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -38 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
3627 | 44143 | None | 12 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 314 | 3 | 0 | 2 | 4.1 | CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1515447 | 44143 | None | 12 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 314 | 3 | 0 | 2 | 4.1 | CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
3447 | 208834 | None | 19 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 321 | 9 | 3 | 5 | 1.8 | CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL87563 | 208834 | None | 19 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 321 | 9 | 3 | 5 | 1.8 | CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1 | 10.1038/s41467-023-40064-9 | |||
2247 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -32 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
249 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -32 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
2603 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -32 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL296419 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -32 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00637 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -32 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
20299 | 14511 | None | 12 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 318 | 8 | 1 | 1 | 4.7 | CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
20299.0 | 14511 | None | 12 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 318 | 8 | 1 | 1 | 4.7 | CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201354 | 14511 | None | 12 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 318 | 8 | 1 | 1 | 4.7 | CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB00505 | 14511 | None | 12 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 318 | 8 | 1 | 1 | 4.7 | CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
1712 | 2492 | None | 34 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
4078 | 2492 | None | 34 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
4078.0 | 2492 | None | 34 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
7227 | 2492 | None | 34 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1088 | 2492 | None | 34 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
DB00933 | 2492 | None | 34 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -5 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
4594 | 42886 | None | 68 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 345 | 5 | 1 | 5 | 2.9 | COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1503 | 42886 | None | 68 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 345 | 5 | 1 | 5 | 2.9 | COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1 | 10.1038/s41467-023-40064-9 | |||
5584 | 205669 | None | 29 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
5584.0 | 205669 | None | 29 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL644 | 205669 | None | 29 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB00726 | 205669 | None | 29 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
4735 | 197545 | None | 57 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -9 | 10 | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL361506 | 197545 | None | 57 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -9 | 10 | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL55 | 197545 | None | 57 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -9 | 10 | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
2166 | 3123 | None | 33 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -10 | 7 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
305 | 3123 | None | 33 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -10 | 7 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
5910 | 3123 | None | 33 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -10 | 7 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
5910.0 | 3123 | None | 33 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -10 | 7 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL550 | 3123 | None | 33 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -10 | 7 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
DB01085 | 3123 | None | 33 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -10 | 7 | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1038/s41467-023-40064-9 | |||
2745 | 3861 | None | 30 | Human | Binding | pAC50 | = | 7.8 | 7.8 | -46 | 9 | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
5572 | 3861 | None | 30 | Human | Binding | pAC50 | = | 7.8 | 7.8 | -46 | 9 | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
5572.0 | 3861 | None | 30 | Human | Binding | pAC50 | = | 7.8 | 7.8 | -46 | 9 | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
66007 | 3861 | None | 30 | Human | Binding | pAC50 | = | 7.8 | 7.8 | -46 | 9 | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
7315 | 3861 | None | 30 | Human | Binding | pAC50 | = | 7.8 | 7.8 | -46 | 9 | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1490 | 3861 | None | 30 | Human | Binding | pAC50 | = | 7.8 | 7.8 | -46 | 9 | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB00376 | 3861 | None | 30 | Human | Binding | pAC50 | = | 7.8 | 7.8 | -46 | 9 | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
154417 | 23189 | None | 39 | Human | Binding | pAC50 | = | 7.8 | 7.8 | -1 | 5 | 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 | 23189 | None | 39 | Human | Binding | pAC50 | = | 7.8 | 7.8 | -1 | 5 | 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 | |||
5311064 | 1366 | None | 35 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | |||
534 | 1366 | None | 35 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | |||
806 | 1366 | None | 35 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | |||
CHEMBL493682 | 1366 | None | 35 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | |||
2286 | 3183 | None | 36 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927 | 3183 | None | 36 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927.0 | 3183 | None | 36 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
7282 | 3183 | None | 36 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL643 | 3183 | None | 36 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
DB01069 | 3183 | None | 36 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
2247 | 505 | None | 55 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -32 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
249 | 505 | None | 55 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -32 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
2603 | 505 | None | 55 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -32 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL296419 | 505 | None | 55 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -32 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00637 | 505 | None | 55 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -32 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
2480 | 19447 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 306 | 11 | 1 | 4 | 3.7 | CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL129529 | 19447 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 306 | 11 | 1 | 4 | 3.7 | CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 | 10.1038/s41467-023-40064-9 | |||
49803313 | 112649 | None | 55 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 552 | 9 | 3 | 10 | 2.7 | CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3301622 | 112649 | None | 55 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 552 | 9 | 3 | 10 | 2.7 | CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
3344 | 200774 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 260 | 3 | 1 | 3 | 1.8 | O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL576127 | 200774 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 260 | 3 | 1 | 3 | 1.8 | O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 | 10.1038/s41467-023-40064-9 | |||
54758501 | 139154 | None | 52 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 486 | 7 | 2 | 8 | 5.1 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3786343 | 139154 | None | 52 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 486 | 7 | 2 | 8 | 5.1 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1 | 10.1038/s41467-023-40064-9 | |||
6127 | 14505 | None | 4 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 278 | 2 | 0 | 0 | 4.4 | C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
6127.0 | 14505 | None | 4 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 278 | 2 | 0 | 0 | 4.4 | C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201340 | 14505 | None | 4 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 278 | 2 | 0 | 0 | 4.4 | C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
DB13720 | 14505 | None | 4 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 278 | 2 | 0 | 0 | 4.4 | C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
72287 | 61081 | None | 27 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 2 | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
72287.0 | 61081 | None | 27 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 2 | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1764 | 61081 | None | 27 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 2 | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
DB01403 | 61081 | None | 27 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 2 | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL4743867 | 216518 | None | 10 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||||
71109 | 78235 | None | 5 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 272 | 4 | 1 | 4 | 2.9 | OC(CN1CCCCC1)c1cc(-c2ccccc2)on1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2105453 | 78235 | None | 5 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 272 | 4 | 1 | 4 | 2.9 | OC(CN1CCCCC1)c1cc(-c2ccccc2)on1 | 10.1038/s41467-023-40064-9 | |||
24821094 | 67115 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1873475 | 67115 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
62867 | 3129 | None | 27 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 2 | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | |||
7557 | 3129 | None | 27 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 2 | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL398880 | 3129 | None | 27 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 2 | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | |||
DB01621 | 3129 | None | 27 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 2 | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | |||
3103 | 41672 | None | 36 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 4 | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
3103.0 | 41672 | None | 36 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 4 | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1492 | 41672 | None | 36 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 4 | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
DB01146 | 41672 | None | 36 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 4 | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
9571107 | 167617 | None | 23 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 389 | 5 | 2 | 8 | 1.0 | CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN | 10.1038/s41467-023-40064-9 | |||
CHEMBL430 | 167617 | None | 23 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 389 | 5 | 2 | 8 | 1.0 | CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN | 10.1038/s41467-023-40064-9 | |||
2337 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -31 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
50 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -31 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -31 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002.0 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -31 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL716 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -31 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB01224 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -31 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5591 | 157623 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | 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 | 157623 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | 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 | |||
1224 | 1432 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -6 | 13 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
3100 | 1432 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -6 | 13 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
3100.0 | 1432 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -6 | 13 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
8980 | 1432 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -6 | 13 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
916 | 1432 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -6 | 13 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL657 | 1432 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -6 | 13 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
DB01075 | 1432 | None | 51 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -6 | 13 | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
40973 | 46049 | None | 50 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 310 | 1 | 1 | 1 | 4.9 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
CHEMBL1533 | 46049 | None | 50 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 310 | 1 | 1 | 1 | 4.9 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
3606 | 205946 | None | 40 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 270 | 5 | 2 | 2 | 4.8 | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL6615 | 205946 | None | 40 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 270 | 5 | 2 | 2 | 4.8 | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
180 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -27 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
200 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -27 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -27 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160.0 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -27 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL629 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -27 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00321 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -27 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
1599 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
3955 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
3955.0 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
7215 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL841 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00836 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
135400189 | 44589 | None | 42 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 488 | 8 | 1 | 8 | 2.1 | CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1520 | 44589 | None | 42 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 488 | 8 | 1 | 8 | 2.1 | CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | 10.1038/s41467-023-40064-9 | |||
135398737 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -22 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
135398737.0 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -22 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
38 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -22 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
722 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -22 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL42 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -22 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00363 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -22 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
4417 | 55578 | None | 40 | Human | Binding | pAC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 383 | 10 | 0 | 4 | 4.5 | CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1439099 | 55578 | None | 40 | Human | Binding | pAC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 383 | 10 | 0 | 4 | 4.5 | CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1620794 | 55578 | None | 40 | Human | Binding | pAC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 383 | 10 | 0 | 4 | 4.5 | CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 | 10.1038/s41467-023-40064-9 | |||
656603 | 194645 | None | 3 | Human | Binding | pAC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 398 | 6 | 1 | 3 | 3.6 | C[N@+]1(CCF)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL5292015 | 194645 | None | 3 | Human | Binding | pAC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 398 | 6 | 1 | 3 | 3.6 | C[N@+]1(CCF)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
6077 | 150786 | None | 16 | Human | Binding | pAC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL39560 | 150786 | None | 16 | Human | Binding | pAC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
40466968 | 209494 | None | 46 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 440 | 14 | 3 | 5 | 3.0 | CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
60947 | 209494 | None | 46 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 440 | 14 | 3 | 5 | 3.0 | CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL916 | 209494 | None | 46 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 440 | 14 | 3 | 5 | 3.0 | CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
27857 | 194644 | None | 25 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 341 | 5 | 0 | 5 | 3.3 | CN(C)CCCN1C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL5291995 | 194644 | None | 25 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 341 | 5 | 0 | 5 | 3.3 | CN(C)CCCN1C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
41049 | 106816 | None | 25 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 233 | 2 | 1 | 2 | 3.2 | CCC1(c2cccc(O)c2)CCCCN(C)C1 | 10.1038/s41467-023-40064-9 | |||
41049.0 | 106816 | None | 25 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 233 | 2 | 1 | 2 | 3.2 | CCC1(c2cccc(O)c2)CCCCN(C)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL314437 | 106816 | None | 25 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 233 | 2 | 1 | 2 | 3.2 | CCC1(c2cccc(O)c2)CCCCN(C)C1 | 10.1038/s41467-023-40064-9 | |||
DB13478 | 106816 | None | 25 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 233 | 2 | 1 | 2 | 3.2 | CCC1(c2cccc(O)c2)CCCCN(C)C1 | 10.1038/s41467-023-40064-9 | |||
18609376 | 206817 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
6279 | 206817 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
CHEMBL717 | 206817 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
3294 | 2006 | None | 61 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -194 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
71360 | 2006 | None | 61 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -194 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
71360.0 | 2006 | None | 61 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -194 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
87 | 2006 | None | 61 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -194 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL14376 | 2006 | None | 61 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -194 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
DB04946 | 2006 | None | 61 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -194 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
1726 | 2497 | None | 8 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -2 | 5 | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | |||
1993 | 2497 | None | 8 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -2 | 5 | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | |||
1993.0 | 2497 | None | 8 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -2 | 5 | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | |||
7438 | 2497 | None | 8 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -2 | 5 | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL978 | 2497 | None | 8 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -2 | 5 | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | |||
DB06709 | 2497 | None | 8 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -2 | 5 | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | |||
5440 | 28732 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
5440.0 | 28732 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1378 | 28732 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
DB00372 | 28732 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
193962 | 103848 | None | 63 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 434 | 4 | 2 | 7 | 4.7 | Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br | 10.1038/s41467-023-40064-9 | |||
CHEMBL308954 | 103848 | None | 63 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 434 | 4 | 2 | 7 | 4.7 | Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br | 10.1038/s41467-023-40064-9 | |||
9853053 | 120583 | None | 54 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 693 | 10 | 2 | 3 | 8.4 | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL354541 | 120583 | None | 54 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 693 | 10 | 2 | 3 | 8.4 | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | |||
24821094 | 67115 | None | 58 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1873475 | 67115 | None | 58 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
2895 | 206050 | None | 27 | Human | Binding | pAC50 | = | 6.6 | 6.6 | -1 | 8 | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
2895.0 | 206050 | None | 27 | Human | Binding | pAC50 | = | 6.6 | 6.6 | -1 | 8 | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL669 | 206050 | None | 27 | Human | Binding | pAC50 | = | 6.6 | 6.6 | -1 | 8 | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB00924 | 206050 | None | 27 | Human | Binding | pAC50 | = | 6.6 | 6.6 | -1 | 8 | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
121515 | 201555 | None | 41 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 326 | 4 | 1 | 4 | 3.4 | CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL588934 | 201555 | None | 41 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 326 | 4 | 1 | 4 | 3.4 | CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | |||
443869 | 78170 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 491 | 7 | 1 | 8 | 3.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2103761 | 78170 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 491 | 7 | 1 | 8 | 3.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
432824 | 78293 | None | 10 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 273 | 2 | 0 | 2 | 3.5 | CC(C)N1CCOC(c2cccc(C(F)(F)F)c2)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2106996 | 78293 | None | 10 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 273 | 2 | 0 | 2 | 3.5 | CC(C)N1CCOC(c2cccc(C(F)(F)F)c2)C1 | 10.1038/s41467-023-40064-9 | |||
10180 | 98923 | None | 36 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 340 | 6 | 1 | 4 | 4.5 | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL279014 | 98923 | None | 36 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 340 | 6 | 1 | 4 | 4.5 | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | |||
208898 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
208898.0 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL184412 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
DB04855 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
4761 | 13446 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
4761.0 | 13446 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1193 | 13446 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1580221 | 13446 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1653 | 13446 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
DB01620 | 13446 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
1547484 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
1547484.0 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
654 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
9072 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL43064 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00568 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
151537 | 162759 | None | 30 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
41867 | 162759 | None | 30 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL417 | 162759 | None | 30 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
9324 | 9240 | None | 40 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 404 | 2 | 0 | 4 | 4.8 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
CHEMBL110691 | 9240 | None | 40 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 404 | 2 | 0 | 4 | 4.8 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
5039 | 63203 | None | 12 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | |||
5039.0 | 63203 | None | 12 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1790041 | 63203 | None | 12 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | |||
DB00863 | 63203 | None | 12 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | |||
5284632 | 67423 | None | 10 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -1 | 5 | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
5284632.0 | 67423 | None | 10 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -1 | 5 | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1888176 | 67423 | None | 10 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -1 | 5 | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3084748 | 67423 | None | 10 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -1 | 5 | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00209 | 67423 | None | 10 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -1 | 5 | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4642 | 42000 | None | 22 | Human | Binding | pAC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 344 | 5 | 1 | 5 | 2.7 | CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
4642.0 | 42000 | None | 22 | Human | Binding | pAC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 344 | 5 | 1 | 5 | 2.7 | CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1495 | 42000 | None | 22 | Human | Binding | pAC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 344 | 5 | 1 | 5 | 2.7 | CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB00383 | 42000 | None | 22 | Human | Binding | pAC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 344 | 5 | 1 | 5 | 2.7 | CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
4034 | 55838 | None | 37 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
4034.0 | 55838 | None | 37 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1623 | 55838 | None | 37 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
DB00737 | 55838 | None | 37 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
7099 | 197978 | None | 47 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 209 | 0 | 2 | 3 | 2.6 | Nc1ccc2cc3ccc(N)cc3nc2c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL55400 | 197978 | None | 47 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 209 | 0 | 2 | 3 | 2.6 | Nc1ccc2cc3ccc(N)cc3nc2c1 | 10.1038/s41467-023-40064-9 | |||
9419 | 35931 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 6 | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
9419.0 | 35931 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 6 | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1442422 | 35931 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 6 | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB13225 | 35931 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 6 | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
4940 | 14476 | None | 26 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 0 | 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 | 14476 | None | 26 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 340 | 5 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
4021 | 100534 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 174 | 1 | 0 | 2 | 1.8 | CC1=NN(c2ccccc2)C(=O)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL290916 | 100534 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 174 | 1 | 0 | 2 | 1.8 | CC1=NN(c2ccccc2)C(=O)C1 | 10.1038/s41467-023-40064-9 | |||
9429 | 204590 | None | 44 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 5 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
9429.0 | 204590 | None | 44 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 5 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL609109 | 204590 | None | 44 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 5 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
DB01622 | 204590 | None | 44 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 5 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
3152 | 188518 | None | 61 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL502 | 188518 | None | 61 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
22530 | 56146 | None | 40 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 3 | ChEMBL | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1600878 | 56146 | None | 40 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 3 | ChEMBL | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1625607 | 56146 | None | 40 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 3 | ChEMBL | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | 10.1038/s41467-023-40064-9 | |||
5351322 | 94844 | None | 30 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 398 | 4 | 4 | 8 | 1.8 | C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL25336 | 94844 | None | 30 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 398 | 4 | 4 | 8 | 1.8 | C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12 | 10.1038/s41467-023-40064-9 | |||
708857 | 56200 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 206 | 2 | 0 | 3 | 2.5 | CN1CCCN=C1/C=C/c1cccs1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1626223 | 56200 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 206 | 2 | 0 | 3 | 2.5 | CN1CCCN=C1/C=C/c1cccs1 | 10.1038/s41467-023-40064-9 | |||
9400 | 14497 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201302 | 14497 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
2726 | 919 | None | 48 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -79 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2726.0 | 919 | None | 48 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -79 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
621 | 919 | None | 48 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -79 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
83 | 919 | None | 48 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -79 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL71 | 919 | None | 48 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -79 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB00477 | 919 | None | 48 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -79 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
3180 | 14479 | None | 25 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201217 | 14479 | None | 25 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
1712095 | 197848 | None | 22 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 397 | 9 | 1 | 5 | 4.9 | CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC | 10.1038/s41467-023-40064-9 | |||
CHEMBL551978 | 197848 | None | 22 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 397 | 9 | 1 | 5 | 4.9 | CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC | 10.1038/s41467-023-40064-9 | |||
25295 | 13625 | None | 28 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 289 | 6 | 0 | 3 | 3.3 | CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1194287 | 13625 | None | 28 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 289 | 6 | 0 | 3 | 3.3 | CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
31101 | 729 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 35 | 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 | |||
31101.0 | 729 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 35 | 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 | 729 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 35 | 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 | 729 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 35 | 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 | 729 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 35 | 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 | 729 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 35 | 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 | |||
22323 | 15305 | None | 29 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | 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 | 15305 | None | 29 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | 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 | 15305 | None | 29 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
4098 | 32513 | None | 25 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -15 | 11 | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1255739 | 32513 | None | 25 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -15 | 11 | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1411979 | 32513 | None | 25 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -15 | 11 | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
23724781 | 2835 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -5 | 9 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
23724781.0 | 2835 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -5 | 9 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
316 | 2835 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -5 | 9 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
317 | 2835 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -5 | 9 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
71183 | 2835 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -5 | 9 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1354199 | 2835 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -5 | 9 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3140030 | 2835 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -5 | 9 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
CHEMBL376897 | 2835 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -5 | 9 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
DB00462 | 2835 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -5 | 9 | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | |||
2039 | 2982 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 10.1038/s41467-023-40064-9 | |||
5749 | 2982 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 10.1038/s41467-023-40064-9 | |||
5749.0 | 2982 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 10.1038/s41467-023-40064-9 | |||
7257 | 2982 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201286 | 2982 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 10.1038/s41467-023-40064-9 | |||
DB00219 | 2982 | None | 13 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 10.1038/s41467-023-40064-9 | |||
2293 | 3186 | None | 19 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 10.1038/s41467-023-40064-9 | |||
329 | 3186 | None | 19 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 10.1038/s41467-023-40064-9 | |||
4934 | 3186 | None | 19 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 10.1038/s41467-023-40064-9 | |||
4934.0 | 3186 | None | 19 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1180725 | 3186 | None | 19 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 10.1038/s41467-023-40064-9 | |||
DB00782 | 3186 | None | 19 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 10.1038/s41467-023-40064-9 | |||
25897919 | 55668 | None | 12 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
657308 | 55668 | None | 12 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
657309 | 55668 | None | 12 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1621597 | 55668 | None | 12 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
DB00332 | 55668 | None | 12 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 8 | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
6917866 | 167534 | None | 5 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 332 | 5 | 1 | 4 | 1.5 | CC[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL4297364 | 167534 | None | 5 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 332 | 5 | 1 | 4 | 1.5 | CC[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 | 10.1038/s41467-023-40064-9 | |||
2784 | 952 | None | 9 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 3 | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
2784.0 | 952 | None | 9 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 3 | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
351 | 952 | None | 9 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 3 | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
366 | 952 | None | 9 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 3 | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
676 | 952 | None | 9 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 3 | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL620 | 952 | None | 9 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 3 | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
DB00771 | 952 | None | 9 | Human | Binding | pAC50 | = | 8.5 | 8.5 | 1 | 3 | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
174174 | 523 | None | 33 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -7 | 14 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/s41467-023-40064-9 | |||
174174.0 | 523 | None | 33 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -7 | 14 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/s41467-023-40064-9 | |||
260 | 523 | None | 33 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -7 | 14 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/s41467-023-40064-9 | |||
320 | 523 | None | 33 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -7 | 14 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/s41467-023-40064-9 | |||
CHEMBL517712 | 523 | None | 33 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -7 | 14 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/s41467-023-40064-9 | |||
DB00572 | 523 | None | 33 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -7 | 14 | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/s41467-023-40064-9 | |||
2286 | 3183 | None | 36 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927 | 3183 | None | 36 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927.0 | 3183 | None | 36 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
7282 | 3183 | None | 36 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL643 | 3183 | None | 36 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
DB01069 | 3183 | None | 36 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -4 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
68778 | 115269 | None | 46 | Human | Binding | pAC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 293 | 2 | 0 | 1 | 4.9 | CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL334491 | 115269 | None | 46 | Human | Binding | pAC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 293 | 2 | 0 | 1 | 4.9 | CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
1548955 | 88615 | None | 14 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -1 | 18 | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
2800 | 88615 | None | 14 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -1 | 18 | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2355051 | 88615 | None | 14 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -1 | 18 | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
100 | 3805 | None | 44 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -19 | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
2637 | 3805 | None | 44 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -19 | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
5452 | 3805 | None | 44 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -19 | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL479 | 3805 | None | 44 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -19 | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
DB00679 | 3805 | None | 44 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -19 | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
242 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
34 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
60795 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
60795.0 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL1112 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
DB01238 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -295 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
3607 | 36392 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 339 | 12 | 1 | 3 | 4.7 | CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL144673 | 36392 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 |