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 |
Vendors |
Reference ligand |
Fold selectivity |
Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
2583 | 205892 | 51 | None | 6 | 4 | Human | 9.0 | pAC50 | = | 9 | Functional | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL839 | 205892 | 51 | None | 6 | 4 | Human | 9.0 | pAC50 | = | 9 | Functional | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1038/s41467-023-40064-9 | ||
DB00521 | 205892 | 51 | None | 6 | 4 | Human | 9.0 | pAC50 | = | 9 | Functional | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1038/s41467-023-40064-9 | ||
1978 | 250 | 60 | None | 28 | 2 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 10.1038/s41467-023-40064-9 | ||
40 | 250 | 60 | None | 28 | 2 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 10.1038/s41467-023-40064-9 | ||
7107 | 250 | 60 | None | 28 | 2 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL642 | 250 | 60 | None | 28 | 2 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 10.1038/s41467-023-40064-9 | ||
DB01193 | 250 | 60 | None | 28 | 2 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 10.1038/s41467-023-40064-9 | ||
10184665 | 3989 | 51 | None | -173 | 10 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
4799 | 3989 | 51 | None | -173 | 10 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
7353 | 3989 | 51 | None | -173 | 10 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1198857 | 3989 | 51 | None | -173 | 10 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
DB09082 | 3989 | 51 | None | -173 | 10 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
216416 | 111579 | 48 | None | -117 | 23 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL328190 | 111579 | 48 | None | -117 | 23 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
11823027 | 192614 | 37 | None | -5 | 3 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
4411 | 192614 | 37 | None | -5 | 3 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL3246778 | 192614 | 37 | None | -5 | 3 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL521606 | 192614 | 37 | None | -5 | 3 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
DB01203 | 192614 | 37 | None | -5 | 3 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
72093 | 35059 | 9 | None | -10 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1433361 | 35059 | 9 | None | -10 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL2103773 | 35059 | 9 | None | -10 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
4418 | 34220 | 85 | None | -19 | 18 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL142635 | 34220 | 85 | None | -19 | 18 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
DB12092 | 34220 | 85 | None | -19 | 18 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
12582 | 949 | 45 | None | -1 | 7 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
2783 | 949 | 45 | None | -1 | 7 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL49080 | 949 | 45 | None | -1 | 7 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
DB01407 | 949 | 45 | None | -1 | 7 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
3083544 | 26807 | 51 | None | -199 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200811 | 26807 | 51 | None | -199 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1363 | 26807 | 51 | None | -199 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1951071 | 26807 | 51 | None | -199 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL605993 | 26807 | 51 | None | -199 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
DB00983 | 26807 | 51 | None | -199 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
DB01274 | 26807 | 51 | None | -199 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
100 | 3803 | 58 | None | -2754 | 38 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
2637 | 3803 | 58 | None | -2754 | 38 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
5452 | 3803 | 58 | None | -2754 | 38 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL479 | 3803 | 58 | None | -2754 | 38 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
DB00679 | 3803 | 58 | None | -2754 | 38 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
11980903 | 14490 | 19 | None | -354 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
22526 | 14490 | 19 | None | -354 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
5281035 | 14490 | 19 | None | -354 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201303 | 14490 | 19 | None | -354 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2713 | 205269 | 82 | None | -2 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
5353524 | 205269 | 82 | None | -2 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
5360566 | 205269 | 82 | None | -2 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
88536661 | 205269 | 82 | None | -2 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
9552079 | 205269 | 82 | None | -2 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1330113 | 205269 | 82 | None | -2 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL790 | 205269 | 82 | None | -2 | 27 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
6436135 | 99570 | 43 | None | -1 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 412 | 9 | 2 | 4 | 5.8 | CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL283754 | 99570 | 43 | None | -1 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 412 | 9 | 2 | 4 | 5.8 | CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
5906 | 14493 | 23 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201319 | 14493 | 23 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
DB00610 | 14493 | 23 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
202 | 1507 | 77 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
60835 | 1507 | 77 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
972 | 1507 | 77 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1175 | 1507 | 77 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00476 | 1507 | 77 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
3191 | 102856 | 97 | None | -831 | 33 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL305660 | 102856 | 97 | None | -831 | 33 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
DB11742 | 102856 | 97 | None | -831 | 33 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
1786 | 2518 | 85 | None | -10 | 7 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
4171 | 2518 | 85 | None | -10 | 7 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
553 | 2518 | 85 | None | -10 | 7 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL13 | 2518 | 85 | None | -10 | 7 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
DB00264 | 2518 | 85 | None | -10 | 7 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
6436173 | 55114 | 45 | None | -4 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1617 | 55114 | 45 | None | -4 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
2274 | 3171 | 58 | None | -1047 | 37 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
4917 | 3171 | 58 | None | -1047 | 37 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
7279 | 3171 | 58 | None | -1047 | 37 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL728 | 3171 | 58 | None | -1047 | 37 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
DB00433 | 3171 | 58 | None | -1047 | 37 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
3464 | 3170 | 28 | None | -616 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1038/s41467-023-40064-9 | ||
4916 | 3170 | 28 | None | -616 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL160519 | 3170 | 28 | None | -616 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1038/s41467-023-40064-9 | ||
DB01366 | 3170 | 28 | None | -616 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1038/s41467-023-40064-9 | ||
31729 | 205782 | 10 | None | -707 | 7 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL83063 | 205782 | 10 | None | -707 | 7 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
3926 | 207239 | 40 | None | -27 | 18 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL92870 | 207239 | 40 | None | -27 | 18 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
1016 | 3745 | 78 | None | -2344 | 40 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2561 | 3745 | 78 | None | -2344 | 40 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2733526 | 3745 | 78 | None | -2344 | 40 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
5384 | 3745 | 78 | None | -2344 | 40 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL83 | 3745 | 78 | None | -2344 | 40 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB00675 | 3745 | 78 | None | -2344 | 40 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2267 | 559 | 71 | None | -741 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
271 | 559 | 71 | None | -741 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
7121 | 559 | 71 | None | -741 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL639 | 559 | 71 | None | -741 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00972 | 559 | 71 | None | -741 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
2435 | 3588 | 83 | None | -4365 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
60149 | 3588 | 83 | None | -4365 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
98 | 3588 | 83 | None | -4365 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL12713 | 3588 | 83 | None | -4365 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
DB06144 | 3588 | 83 | None | -4365 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
2540 | 4399 | 111 | None | -2570 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1014 | 4399 | 111 | None | -2570 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
64139 | 84783 | 96 | None | -3 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 0 | 1 | 2 | 4.1 | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL223228 | 84783 | 96 | None | -3 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 0 | 1 | 2 | 4.1 | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 | 10.1038/s41467-023-40064-9 | ||
451668 | 14455 | 110 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 8 | -2.1 | Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201129 | 14455 | 110 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 8 | -2.1 | Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | 10.1038/s41467-023-40064-9 | ||
33624 | 3819 | 34 | None | -3 | 6 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
4061 | 3819 | 34 | None | -3 | 6 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
565 | 3819 | 34 | None | -3 | 6 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL499 | 3819 | 34 | None | -3 | 6 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
DB00373 | 3819 | 34 | None | -3 | 6 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
1222 | 1662 | 49 | None | -467 | 25 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3396 | 1662 | 49 | None | -467 | 25 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
85 | 1662 | 49 | None | -467 | 25 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL46516 | 1662 | 49 | None | -467 | 25 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
DB04842 | 1662 | 49 | None | -467 | 25 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
1836 | 2590 | 59 | None | -39810 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | ||
3340 | 2590 | 59 | None | -39810 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | ||
5281040 | 2590 | 59 | None | -39810 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL787 | 2590 | 59 | None | -39810 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | ||
DB00471 | 2590 | 59 | None | -39810 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | ||
5591 | 157529 | 90 | None | -12 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL408 | 157529 | 90 | None | -12 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
3151 | 1461 | 97 | None | -7585 | 24 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
945 | 1461 | 97 | None | -7585 | 24 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
965 | 1461 | 97 | None | -7585 | 24 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL219916 | 1461 | 97 | None | -7585 | 24 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB01184 | 1461 | 97 | None | -7585 | 24 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2303 | 3185 | 68 | None | -6 | 20 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
4946 | 3185 | 68 | None | -6 | 20 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
564 | 3185 | 68 | None | -6 | 20 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
63 | 3185 | 68 | None | -6 | 20 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
91536 | 3185 | 68 | None | -6 | 20 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL27 | 3185 | 68 | None | -6 | 20 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL452861 | 3185 | 68 | None | -6 | 20 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
DB00571 | 3185 | 68 | None | -6 | 20 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
5282219 | 35867 | 63 | None | -3 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1441961 | 35867 | 63 | None | -3 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | ||
105 | 3459 | 91 | None | -28 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1038/s41467-023-40064-9 | ||
2083 | 3459 | 91 | None | -28 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1038/s41467-023-40064-9 | ||
558 | 3459 | 91 | None | -28 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL714 | 3459 | 91 | None | -28 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1038/s41467-023-40064-9 | ||
DB01001 | 3459 | 91 | None | -28 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1038/s41467-023-40064-9 | ||
11976 | 919 | 59 | None | -7244 | 16 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
667467 | 919 | 59 | None | -7244 | 16 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL908 | 919 | 59 | None | -7244 | 16 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
DB01239 | 919 | 59 | None | -7244 | 16 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
155774 | 4094 | 40 | None | 42 | 3 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
2848 | 4094 | 40 | None | 42 | 3 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
538 | 4094 | 40 | None | 42 | 3 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL75753 | 4094 | 40 | None | 42 | 3 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
DB13781 | 4094 | 40 | None | 42 | 3 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
180 | 401 | 56 | None | -48977 | 38 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
200 | 401 | 56 | None | -48977 | 38 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
2160 | 401 | 56 | None | -48977 | 38 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL629 | 401 | 56 | None | -48977 | 38 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
DB00321 | 401 | 56 | None | -48977 | 38 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
3689 | 102769 | 55 | None | -3311 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1372983 | 102769 | 55 | None | -3311 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL305187 | 102769 | 55 | None | -3311 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
1971 | 2864 | 38 | None | -33113 | 32 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2404 | 2864 | 38 | None | -33113 | 32 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
4543 | 2864 | 38 | None | -33113 | 32 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL445 | 2864 | 38 | None | -33113 | 32 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB00540 | 2864 | 38 | None | -33113 | 32 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
5482 | 14418 | 80 | None | -13 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200438 | 14418 | 80 | None | -13 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
129211 | 3747 | 78 | None | -5495 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
2562 | 3747 | 78 | None | -5495 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
488 | 3747 | 78 | None | -5495 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL836 | 3747 | 78 | None | -5495 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
DB00706 | 3747 | 78 | None | -5495 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
26987 | 948 | 33 | None | -21877 | 34 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
6063 | 948 | 33 | None | -21877 | 34 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
671 | 948 | 33 | None | -21877 | 34 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL1626 | 948 | 33 | None | -21877 | 34 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
DB00283 | 948 | 33 | None | -21877 | 34 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
4640 | 78264 | 30 | None | -218 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL2107011 | 78264 | 30 | None | -218 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
4486 | 122981 | 25 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 405 | 11 | 2 | 9 | 0.3 | Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O | 10.1038/s41467-023-40064-9 | ||
CHEMBL360861 | 122981 | 25 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 405 | 11 | 2 | 9 | 0.3 | Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O | 10.1038/s41467-023-40064-9 | ||
1549120 | 196484 | 85 | None | -17 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL56337 | 196484 | 85 | None | -17 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2372 | 106466 | 40 | None | 12 | 6 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL314010 | 106466 | 40 | None | 12 | 6 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
5606 | 10191 | 67 | None | -3 | 2 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL1159717 | 10191 | 67 | None | -3 | 2 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
DB12248 | 10191 | 67 | None | -3 | 2 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
65948 | 18554 | 109 | None | -12 | 6 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1275868 | 18554 | 109 | None | -12 | 6 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
4908 | 188804 | 78 | None | -5 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 259 | 6 | 2 | 4 | 2.8 | COc1cc(NC(C)CCCN)c2ncccc2c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL506 | 188804 | 78 | None | -5 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 259 | 6 | 2 | 4 | 2.8 | COc1cc(NC(C)CCCN)c2ncccc2c1 | 10.1038/s41467-023-40064-9 | ||
4452 | 2760 | 19 | None | -8912 | 21 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
983 | 2760 | 19 | None | -8912 | 21 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL20734 | 2760 | 19 | None | -8912 | 21 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
2470 | 3651 | 50 | None | -46773 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
3300 | 3651 | 50 | None | -46773 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
5265 | 3651 | 50 | None | -46773 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
99 | 3651 | 50 | None | -46773 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL267930 | 3651 | 50 | None | -46773 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
216239 | 23793 | 118 | None | -15 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1200485 | 23793 | 118 | None | -15 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1336 | 23793 | 118 | None | -15 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
3760 | 50298 | 37 | None | -3 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1571863 | 50298 | 37 | None | -3 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
30323 | 62483 | 57 | None | -14 | 21 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1563 | 62483 | 57 | None | -14 | 21 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL178 | 62483 | 57 | None | -14 | 21 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
135398735 | 136966 | 32 | None | -12 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
136262914 | 136966 | 32 | None | -12 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL374478 | 136966 | 32 | None | -12 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
176 | 398 | 66 | None | -4 | 40 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
2157 | 398 | 66 | None | -4 | 40 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
2566 | 398 | 66 | None | -4 | 40 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL633 | 398 | 66 | None | -4 | 40 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
DB01118 | 398 | 66 | None | -4 | 40 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
2333 | 142333 | 97 | None | -25 | 14 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL388590 | 142333 | 97 | None | -25 | 14 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
118422671 | 2755 | 65 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
1887 | 2755 | 65 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
189562 | 2755 | 65 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
71301 | 2755 | 65 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
7246 | 2755 | 65 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
9844194 | 2755 | 65 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL2365658 | 2755 | 65 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL3526436 | 2755 | 65 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL434394 | 2755 | 65 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
DB04861 | 2755 | 65 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
2585 | 802 | 103 | None | 1 | 34 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
522 | 802 | 103 | None | 1 | 34 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
551 | 802 | 103 | None | 1 | 34 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL723 | 802 | 103 | None | 1 | 34 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
DB01136 | 802 | 103 | None | 1 | 34 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
3149 | 12612 | 15 | None | -8 | 26 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1187011 | 12612 | 15 | None | -8 | 26 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
2601 | 3778 | 33 | None | -1023 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
443951 | 3778 | 33 | None | -1023 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
56 | 3778 | 33 | None | -1023 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
CHEMBL73151 | 3778 | 33 | None | -1023 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
DB13399 | 3778 | 33 | None | -1023 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
5311064 | 1365 | 46 | None | 3 | 7 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
534 | 1365 | 46 | None | 3 | 7 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
806 | 1365 | 46 | None | 3 | 7 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
CHEMBL493682 | 1365 | 46 | None | 3 | 7 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
150 | 2507 | 21 | None | -1445 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
1764 | 2507 | 21 | None | -1445 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
8226 | 2507 | 21 | None | -1445 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201356 | 2507 | 21 | None | -1445 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
DB00353 | 2507 | 21 | None | -1445 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
2291 | 3182 | 58 | None | -6 | 13 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
2561 | 3182 | 58 | None | -6 | 13 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
4932 | 3182 | 58 | None | -6 | 13 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL631 | 3182 | 58 | None | -6 | 13 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
DB01182 | 3182 | 58 | None | -6 | 13 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
2464 | 3638 | 58 | None | -7 | 3 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1038/s41467-023-40064-9 | ||
5253 | 3638 | 58 | None | -7 | 3 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1038/s41467-023-40064-9 | ||
7297 | 3638 | 58 | None | -7 | 3 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL471 | 3638 | 58 | None | -7 | 3 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1038/s41467-023-40064-9 | ||
DB00489 | 3638 | 58 | None | -7 | 3 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1038/s41467-023-40064-9 | ||
4567 | 9946 | 34 | None | -72 | 12 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL114655 | 9946 | 34 | None | -72 | 12 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
2176 | 3125 | 68 | None | -1 | 8 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
4828 | 3125 | 68 | None | -1 | 8 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
91 | 3125 | 68 | None | -1 | 8 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL500 | 3125 | 68 | None | -1 | 8 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
DB00960 | 3125 | 68 | None | -1 | 8 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
44112 | 121288 | 48 | None | -1 | 12 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL357995 | 121288 | 48 | None | -1 | 12 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
9931954 | 10932 | 76 | None | -3 | 2 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 323 | 3 | 3 | 2 | 3.0 | CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1173055 | 10932 | 76 | None | -3 | 2 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 323 | 3 | 3 | 2 | 3.0 | CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 | 10.1038/s41467-023-40064-9 | ||
3486 | 3155 | 56 | None | -1 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
4883 | 3155 | 56 | None | -1 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
555 | 3155 | 56 | None | -1 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL6995 | 3155 | 56 | None | -1 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
DB01297 | 3155 | 56 | None | -1 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
25382 | 9155 | 37 | None | -141 | 21 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL110094 | 9155 | 37 | None | -141 | 21 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
36811 | 1453 | 37 | None | -11 | 17 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
535 | 1453 | 37 | None | -11 | 17 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
937 | 1453 | 37 | None | -11 | 17 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL926 | 1453 | 37 | None | -11 | 17 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
DB00841 | 1453 | 37 | None | -11 | 17 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
16362 | 3123 | 71 | None | -616 | 35 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2172 | 3123 | 71 | None | -616 | 35 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
90 | 3123 | 71 | None | -616 | 35 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1423 | 3123 | 71 | None | -616 | 35 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB01100 | 3123 | 71 | None | -616 | 35 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
2318 | 154854 | 29 | None | -8 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL400599 | 154854 | 29 | None | -8 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
11504295 | 2921 | 47 | None | -954 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
4814 | 2921 | 47 | None | -954 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
7543 | 2921 | 47 | None | -954 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL605846 | 2921 | 47 | None | -954 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
DB09080 | 2921 | 47 | None | -954 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
2398 | 953 | 62 | None | -4265 | 36 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
2801 | 953 | 62 | None | -4265 | 36 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
701 | 953 | 62 | None | -4265 | 36 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL415 | 953 | 62 | None | -4265 | 36 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
DB01242 | 953 | 62 | None | -4265 | 36 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
137 | 370 | 52 | None | -3 | 8 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
2119 | 370 | 52 | None | -3 | 8 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
563 | 370 | 52 | None | -3 | 8 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
66368 | 370 | 52 | None | -3 | 8 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL266195 | 370 | 52 | None | -3 | 8 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
DB00866 | 370 | 52 | None | -3 | 8 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
4631 | 194970 | 29 | None | -1 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL546 | 194970 | 29 | None | -1 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
DB01580 | 194970 | 29 | None | -1 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
2169 | 44845 | 35 | None | 1 | 12 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL152231 | 44845 | 35 | None | 1 | 12 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
1155 | 1627 | 53 | None | -17 | 11 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
3343 | 1627 | 53 | None | -17 | 11 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
557 | 1627 | 53 | None | -17 | 11 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL32800 | 1627 | 53 | None | -17 | 11 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
DB01288 | 1627 | 53 | None | -17 | 11 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
5329102 | 194724 | 86 | None | -54 | 37 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL535 | 194724 | 86 | None | -54 | 37 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
2249 | 512 | 111 | None | -38 | 5 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
255 | 512 | 111 | None | -38 | 5 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
548 | 512 | 111 | None | -38 | 5 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL24 | 512 | 111 | None | -38 | 5 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
DB00335 | 512 | 111 | None | -38 | 5 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
9801 | 91583 | 35 | None | -17 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL24072 | 91583 | 35 | None | -17 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
135409453 | 3771 | 41 | None | -2398 | 36 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
226 | 3771 | 41 | None | -2398 | 36 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
CHEMBL76370 | 3771 | 41 | None | -2398 | 36 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
242 | 470 | 124 | None | -213 | 33 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
34 | 470 | 124 | None | -213 | 33 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
60795 | 470 | 124 | None | -213 | 33 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
CHEMBL1112 | 470 | 124 | None | -213 | 33 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
DB01238 | 470 | 124 | None | -213 | 33 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
2663 | 98760 | 34 | None | 60 | 2 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL27810 | 98760 | 34 | None | 60 | 2 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | 10.1038/s41467-023-40064-9 | ||
DB04846 | 98760 | 34 | None | 60 | 2 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | 10.1038/s41467-023-40064-9 | ||
2335 | 11846 | 22 | None | -57 | 34 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
8478 | 11846 | 22 | None | -57 | 34 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1182210 | 11846 | 22 | None | -57 | 34 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL221753 | 11846 | 22 | None | -57 | 34 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
56959 | 31554 | 103 | None | -5 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1404 | 31554 | 103 | None | -5 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1526084 | 31554 | 103 | None | -5 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
5639 | 98893 | 75 | None | -15 | 13 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL279229 | 98893 | 75 | None | -15 | 13 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
2351 | 4298 | 49 | None | -3 | 22 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1008 | 4298 | 49 | None | -3 | 22 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1257078 | 4298 | 49 | None | -3 | 22 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
11658860 | 2342 | 51 | None | -724 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
2941 | 2342 | 51 | None | -724 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
4374 | 2342 | 51 | None | -724 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL360328 | 2342 | 51 | None | -724 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
DB04871 | 2342 | 51 | None | -724 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
119607 | 206201 | 113 | None | 1 | 6 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL865 | 206201 | 113 | None | 1 | 6 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
68617 | 205525 | 62 | None | -23 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1709 | 205525 | 62 | None | -23 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL809 | 205525 | 62 | None | -23 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
16363 | 595 | 53 | None | -1621 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
312 | 595 | 53 | None | -1621 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
9215 | 595 | 53 | None | -1621 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
CHEMBL297302 | 595 | 53 | None | -1621 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
DB12867 | 595 | 53 | None | -1621 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
1054 | 1584 | 54 | None | 66 | 2 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
59768 | 1584 | 54 | None | 66 | 2 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
7178 | 1584 | 54 | None | 66 | 2 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL768 | 1584 | 54 | None | 66 | 2 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
DB00187 | 1584 | 54 | None | 66 | 2 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
275196 | 125671 | 52 | None | -26 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | 10.1038/s41467-023-40064-9 | ||
CHEMBL364713 | 125671 | 52 | None | -26 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | 10.1038/s41467-023-40064-9 | ||
156419 | 937 | 74 | None | -138 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
3308 | 937 | 74 | None | -138 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
647 | 937 | 74 | None | -138 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201284 | 937 | 74 | None | -138 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
DB01012 | 937 | 74 | None | -138 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
41684 | 31219 | 105 | None | -19 | 32 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1401 | 31219 | 105 | None | -19 | 32 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
1673 | 961 | 24 | None | -1 | 3 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 1.5 | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | 10.1038/s41467-023-40064-9 | ||
5284371 | 961 | 24 | None | -1 | 3 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 1.5 | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | 10.1038/s41467-023-40064-9 | ||
725 | 961 | 24 | None | -1 | 3 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 1.5 | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL485 | 961 | 24 | None | -1 | 3 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 1.5 | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | 10.1038/s41467-023-40064-9 | ||
DB00318 | 961 | 24 | None | -1 | 3 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 1.5 | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | 10.1038/s41467-023-40064-9 | ||
31101 | 728 | 40 | None | -1659 | 29 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
35 | 728 | 40 | None | -1659 | 29 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
403 | 728 | 40 | None | -1659 | 29 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL493 | 728 | 40 | None | -1659 | 29 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
DB01200 | 728 | 40 | None | -1659 | 29 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
135564886 | 14491 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
135673376 | 14491 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
137157436 | 14491 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
145948239 | 14491 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
71587099 | 14491 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
CHEMBL1201304 | 14491 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
1028 | 291 | 71 | None | -10 | 19 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
139148732 | 291 | 71 | None | -10 | 19 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
479 | 291 | 71 | None | -10 | 19 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
5816 | 291 | 71 | None | -10 | 19 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
CHEMBL679 | 291 | 71 | None | -10 | 19 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
DB00668 | 291 | 71 | None | -10 | 19 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
2405 | 664 | 76 | None | -6 | 4 | Human | 7.0 | pAC50 | = | 7 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
380 | 664 | 76 | None | -6 | 4 | Human | 7.0 | pAC50 | = | 7 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
7129 | 664 | 76 | None | -6 | 4 | Human | 7.0 | pAC50 | = | 7 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
CHEMBL645 | 664 | 76 | None | -6 | 4 | Human | 7.0 | pAC50 | = | 7 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
DB00612 | 664 | 76 | None | -6 | 4 | Human | 7.0 | pAC50 | = | 7 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
9849126 | 12437 | 0 | None | 3 | 4 | Guinea pig | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1185969 | 12437 | 0 | None | 3 | 4 | Guinea pig | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
CHEMBL443435 | 12437 | 0 | None | 3 | 4 | Guinea pig | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
11268355 | 96394 | 0 | None | 1 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
CHEMBL26183 | 96394 | 0 | None | 1 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
1239 | 1675 | 55 | None | 1 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
3410 | 1675 | 55 | None | 1 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
3465 | 1675 | 55 | None | 1 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
CHEMBL1256786 | 1675 | 55 | None | 1 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
DB00983 | 1675 | 55 | None | 1 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
24936881 | 17515 | 0 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1257913 | 17515 | 0 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
12065 | 627 | 26 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 10.1016/j.bmcl.2009.10.013 | ||
45483813 | 627 | 26 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL579394 | 627 | 26 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 10.1016/j.bmcl.2009.10.013 | ||
164622827 | 188562 | 0 | None | -26 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4868585 | 188562 | 0 | None | -26 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028721 | 188562 | 0 | None | -26 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
9891927 | 184195 | 9 | None | -5 | 4 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL446840 | 184195 | 9 | None | -5 | 4 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL483200 | 184195 | 9 | None | -5 | 4 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL483201 | 184195 | 9 | None | -5 | 4 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
45483810 | 197142 | 0 | None | -3 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL567863 | 197142 | 0 | None | -3 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
123686 | 1979 | 51 | None | 74 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
12581 | 1979 | 51 | None | 74 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
CHEMBL11268 | 1979 | 51 | None | 74 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
164623105 | 188566 | 0 | None | -47 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4862449 | 188566 | 0 | None | -47 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028738 | 188566 | 0 | None | -47 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
13345218 | 197219 | 0 | None | -8 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 372 | 6 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL568272 | 197219 | 0 | None | -8 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 372 | 6 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
44392175 | 131792 | 0 | None | 1 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 480 | 12 | 5 | 7 | 3.2 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL369346 | 131792 | 0 | None | 1 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 480 | 12 | 5 | 7 | 3.2 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2004.11.001 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
44392230 | 65595 | 1 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 479 | 12 | 6 | 6 | 3.0 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc(C(=O)O)c1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL183283 | 65595 | 1 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 479 | 12 | 6 | 6 | 3.0 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc(C(=O)O)c1 | 10.1016/j.bmcl.2004.11.001 | ||
24822304 | 97862 | 0 | None | 6 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 412 | 9 | 3 | 5 | 4.1 | O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
CHEMBL272234 | 97862 | 0 | None | 6 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 412 | 9 | 3 | 5 | 4.1 | O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
105 | 3459 | 91 | None | -28 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
2083 | 3459 | 91 | None | -28 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
558 | 3459 | 91 | None | -28 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
CHEMBL714 | 3459 | 91 | None | -28 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
DB01001 | 3459 | 91 | None | -28 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
164615126 | 188502 | 0 | None | -104 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4854569 | 188502 | 0 | None | -104 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028293 | 188502 | 0 | None | -104 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
90645347 | 112511 | 0 | None | -7 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298987 | 112511 | 0 | None | -7 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
164618895 | 188533 | 0 | None | -95 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4868938 | 188533 | 0 | None | -95 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028525 | 188533 | 0 | None | -95 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
45101519 | 198521 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL577917 | 198521 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
24936492 | 17547 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1258026 | 17547 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
164612078 | 188476 | 0 | None | -64 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4848617 | 188476 | 0 | None | -64 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028119 | 188476 | 0 | None | -64 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
9927453 | 96685 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
CHEMBL26393 | 96685 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
42625513 | 12557 | 0 | None | -3 | 4 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
CHEMBL1186722 | 12557 | 0 | None | -3 | 4 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
CHEMBL475389 | 12557 | 0 | None | -3 | 4 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
90645346 | 112493 | 0 | None | -2 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298762 | 112493 | 0 | None | -2 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
42625517 | 12719 | 0 | None | -19 | 4 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1187654 | 12719 | 0 | None | -19 | 4 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL514032 | 12719 | 0 | None | -19 | 4 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
11180293 | 112506 | 0 | None | -22 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298897 | 112506 | 0 | None | -22 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
56668796 | 66600 | 0 | None | -31 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1835860 | 66600 | 0 | None | -31 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1852632 | 66600 | 0 | None | -31 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
45273268 | 195627 | 0 | None | 194 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204004 | 195627 | 0 | None | 194 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL556274 | 195627 | 0 | None | 194 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
10217757 | 112268 | 0 | None | -31 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
CHEMBL3290998 | 112268 | 0 | None | -31 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
164614147 | 188490 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4856990 | 188490 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028233 | 188490 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
164618813 | 188532 | 0 | None | -275 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4865833 | 188532 | 0 | None | -275 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028523 | 188532 | 0 | None | -275 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
164619360 | 188536 | 0 | None | -371 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4868763 | 188536 | 0 | None | -371 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028547 | 188536 | 0 | None | -371 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
155774 | 4094 | 40 | None | 42 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
2848 | 4094 | 40 | None | 42 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
538 | 4094 | 40 | None | 42 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
CHEMBL75753 | 4094 | 40 | None | 42 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
DB13781 | 4094 | 40 | None | 42 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
10863093 | 50325 | 0 | None | -19 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 439 | 10 | 4 | 6 | 2.1 | C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
CHEMBL157210 | 50325 | 0 | None | -19 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 439 | 10 | 4 | 6 | 2.1 | C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
16049450 | 64091 | 0 | None | -125 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807827 | 64091 | 0 | None | -125 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
16049234 | 64092 | 0 | None | -177 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807828 | 64092 | 0 | None | -177 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
16049448 | 64093 | 0 | None | -56 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807829 | 64093 | 0 | None | -56 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
16049374 | 64097 | 0 | None | -89 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807869 | 64097 | 0 | None | -89 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
9888047 | 93379 | 0 | None | -398 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1cccc(-c2occc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL245673 | 93379 | 0 | None | -398 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1cccc(-c2occc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
44441231 | 148052 | 0 | None | -50 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2csc(C(=O)O)n2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL393470 | 148052 | 0 | None | -50 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2csc(C(=O)O)n2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
44441235 | 150990 | 0 | None | -251 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1ccc(-c2sccc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL395834 | 150990 | 0 | None | -251 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1ccc(-c2sccc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
45271523 | 195126 | 0 | None | -10 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204000 | 195126 | 0 | None | -10 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL550096 | 195126 | 0 | None | -10 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
45272417 | 195439 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL2448074 | 195439 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL552368 | 195439 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
42625823 | 12677 | 0 | None | -501 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1187371 | 12677 | 0 | None | -501 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL500782 | 12677 | 0 | None | -501 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
46832804 | 6984 | 0 | None | -50 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
CHEMBL1084655 | 6984 | 0 | None | -50 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
10553603 | 99696 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 1.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(NC(=O)CC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
CHEMBL284612 | 99696 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 1.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(NC(=O)CC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
42625517 | 12719 | 0 | None | -1995 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1187654 | 12719 | 0 | None | -1995 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL514032 | 12719 | 0 | None | -1995 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
42625588 | 180424 | 0 | None | -630 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 2.9 | NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL475237 | 180424 | 0 | None | -630 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 2.9 | NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
10121328 | 4436 | 0 | None | -100 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 593 | 11 | 5 | 10 | 1.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(C(=O)O)cn4)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL101606 | 4436 | 0 | None | -100 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 593 | 11 | 5 | 10 | 1.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(C(=O)O)cn4)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
11575154 | 77213 | 0 | None | -100000 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1ccncc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
CHEMBL207943 | 77213 | 0 | None | -100000 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1ccncc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
44237766 | 58237 | 0 | None | -10000 | 2 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 550 | 10 | 6 | 6 | 5.5 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2010.12.096 | ||
CHEMBL1682221 | 58237 | 0 | None | -10000 | 2 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 550 | 10 | 6 | 6 | 5.5 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2010.12.096 | ||
155517986 | 170205 | 0 | None | -478630 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.3 | CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4445289 | 170205 | 0 | None | -478630 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.3 | CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
164622775 | 188561 | 0 | None | -120226 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 428 | 10 | 4 | 7 | 2.5 | COc1cc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4867311 | 188561 | 0 | None | -120226 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 428 | 10 | 4 | 7 | 2.5 | COc1cc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028718 | 188561 | 0 | None | -120226 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 428 | 10 | 4 | 7 | 2.5 | COc1cc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
44313150 | 103775 | 0 | None | -6 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL308868 | 103775 | 0 | None | -6 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
1960 | 2855 | 67 | None | -38 | 19 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
439260 | 2855 | 67 | None | -38 | 19 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
505 | 2855 | 67 | None | -38 | 19 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
CHEMBL1437 | 2855 | 67 | None | -38 | 19 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
DB00368 | 2855 | 67 | None | -38 | 19 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
10301101 | 102958 | 0 | None | -1659 | 2 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 509 | 9 | 3 | 6 | 3.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
CHEMBL306423 | 102958 | 0 | None | -1659 | 2 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 509 | 9 | 3 | 6 | 3.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
145984792 | 165727 | 0 | None | -12882 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 461 | 12 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)c3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4246134 | 165727 | 0 | None | -12882 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 461 | 12 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)c3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
45483848 | 197138 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 394 | 7 | 3 | 3 | 5.3 | CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL567843 | 197138 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 394 | 7 | 3 | 3 | 5.3 | CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
11567751 | 200757 | 0 | None | -29 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 374 | 6 | 4 | 5 | 2.5 | CC(C)(Cc1ccc(F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL600401 | 200757 | 0 | None | -29 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 374 | 6 | 4 | 5 | 2.5 | CC(C)(Cc1ccc(F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
10145482 | 4168 | 0 | None | -34 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 604 | 12 | 5 | 7 | 3.4 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL100057 | 4168 | 0 | None | -34 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 604 | 12 | 5 | 7 | 3.4 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
10281165 | 4411 | 0 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 560 | 11 | 5 | 7 | 3.3 | O=C(Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL101485 | 4411 | 0 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 560 | 11 | 5 | 7 | 3.3 | O=C(Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(02)00607-8 | ||
11539348 | 200785 | 0 | None | -9 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 434 | 6 | 4 | 5 | 3.1 | CC(C)(Cc1ccc(Br)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL600616 | 200785 | 0 | None | -9 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 434 | 6 | 4 | 5 | 3.1 | CC(C)(Cc1ccc(Br)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
44309649 | 204290 | 0 | None | -186 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 436 | 9 | 3 | 7 | 1.6 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
CHEMBL71348 | 204290 | 0 | None | -186 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 436 | 9 | 3 | 7 | 1.6 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
3083544 | 26807 | 51 | None | -199 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
CHEMBL1200811 | 26807 | 51 | None | -199 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
CHEMBL1363 | 26807 | 51 | None | -199 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
CHEMBL1951071 | 26807 | 51 | None | -199 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
CHEMBL605993 | 26807 | 51 | None | -199 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
DB00983 | 26807 | 51 | None | -199 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
DB01274 | 26807 | 51 | None | -199 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
10280301 | 109735 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccc(F)cc1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL322973 | 109735 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccc(F)cc1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
10231394 | 167814 | 0 | None | -190 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 562 | 15 | 5 | 7 | 3.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL430662 | 167814 | 0 | None | -190 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 562 | 15 | 5 | 7 | 3.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
24823782 | 98043 | 0 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 396 | 8 | 3 | 4 | 4.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
CHEMBL273097 | 98043 | 0 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 396 | 8 | 3 | 4 | 4.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
45484646 | 197292 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL568667 | 197292 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
24894323 | 176456 | 0 | None | -52 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 468 | 12 | 4 | 5 | 5.2 | CCCOc1cc(-c2ccc(NCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL459645 | 176456 | 0 | None | -52 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 468 | 12 | 4 | 5 | 5.2 | CCCOc1cc(-c2ccc(NCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
155536813 | 172204 | 0 | None | -263 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4473790 | 172204 | 0 | None | -263 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
45270680 | 195036 | 0 | None | 5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203993 | 195036 | 0 | None | 5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL549421 | 195036 | 0 | None | 5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
45269853 | 196566 | 0 | None | -4 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL563872 | 196566 | 0 | None | -4 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
52943968 | 17792 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1258824 | 17792 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
16222840 | 195729 | 0 | None | -316 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 566 | 11 | 4 | 7 | 4.7 | C[C@H](NCCc1ccc(-c2ccc(C(=O)NS(C)(=O)=O)c(OC3CCCCC3)c2)cc1)[C@H](O)c1ccc(O)cc1 | 10.1016/j.bmcl.2009.06.083 | ||
CHEMBL557253 | 195729 | 0 | None | -316 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 566 | 11 | 4 | 7 | 4.7 | C[C@H](NCCc1ccc(-c2ccc(C(=O)NS(C)(=O)=O)c(OC3CCCCC3)c2)cc1)[C@H](O)c1ccc(O)cc1 | 10.1016/j.bmcl.2009.06.083 | ||
24895559 | 173099 | 0 | None | -338 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 483 | 12 | 3 | 5 | 5.4 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL452034 | 173099 | 0 | None | -338 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 483 | 12 | 3 | 5 | 5.4 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
105 | 3459 | 91 | None | -28 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
2083 | 3459 | 91 | None | -28 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
558 | 3459 | 91 | None | -28 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
CHEMBL714 | 3459 | 91 | None | -28 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
DB01001 | 3459 | 91 | None | -28 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
44377726 | 56816 | 0 | None | -389 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 550 | 10 | 5 | 10 | 1.6 | CS(=O)(=O)Nc1cc(O[C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
CHEMBL164378 | 56816 | 0 | None | -389 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 550 | 10 | 5 | 10 | 1.6 | CS(=O)(=O)Nc1cc(O[C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
16223251 | 176457 | 0 | None | -204 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 449 | 11 | 4 | 6 | 3.9 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL459646 | 176457 | 0 | None | -204 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 449 | 11 | 4 | 6 | 3.9 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
24895787 | 186692 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
CHEMBL488431 | 186692 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
44309272 | 203876 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 611 | 14 | 6 | 8 | 2.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
CHEMBL68766 | 203876 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 611 | 14 | 6 | 8 | 2.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
44392181 | 66069 | 0 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccccc1NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL183744 | 66069 | 0 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccccc1NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
44441230 | 93785 | 0 | None | -7 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2csc(C(=O)O)n2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL247518 | 93785 | 0 | None | -7 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2csc(C(=O)O)n2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
2687 | 888 | 16 | None | 162 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/jm400348g | ||
532 | 888 | 16 | None | 162 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/jm400348g | ||
5387 | 888 | 16 | None | 162 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/jm400348g | ||
CHEMBL420746 | 888 | 16 | None | 162 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/jm400348g | ||
44441226 | 93666 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2nc(C(=O)O)co2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL246908 | 93666 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2nc(C(=O)O)co2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
1239 | 1675 | 55 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
3410 | 1675 | 55 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
3465 | 1675 | 55 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL1256786 | 1675 | 55 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
DB00983 | 1675 | 55 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
90645345 | 112477 | 0 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298692 | 112477 | 0 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
56943485 | 112501 | 0 | None | -12 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298831 | 112501 | 0 | None | -12 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
46832798 | 14201 | 0 | None | -31 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
CHEMBL1084648 | 14201 | 0 | None | -31 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
CHEMBL1198879 | 14201 | 0 | None | -31 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
46832509 | 14210 | 0 | None | -50 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL1085399 | 14210 | 0 | None | -50 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL1198908 | 14210 | 0 | None | -50 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
46832232 | 14213 | 0 | None | -100 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
CHEMBL1085837 | 14213 | 0 | None | -100 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
CHEMBL1198923 | 14213 | 0 | None | -100 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
1239 | 1675 | 55 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
3410 | 1675 | 55 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
3465 | 1675 | 55 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
CHEMBL1256786 | 1675 | 55 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
DB00983 | 1675 | 55 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
24895557 | 173098 | 0 | None | -575 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 469 | 12 | 3 | 5 | 5.2 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL452033 | 173098 | 0 | None | -575 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 469 | 12 | 3 | 5 | 5.2 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
44392490 | 65241 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
CHEMBL182708 | 65241 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
44268327 | 98297 | 0 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | ||
CHEMBL274807 | 98297 | 0 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | ||
10575455 | 99976 | 1 | None | -60 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 448 | 8 | 5 | 7 | 1.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
CHEMBL286574 | 99976 | 1 | None | -60 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 448 | 8 | 5 | 7 | 1.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
11504295 | 2921 | 47 | None | -954 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
4814 | 2921 | 47 | None | -954 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
7543 | 2921 | 47 | None | -954 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL605846 | 2921 | 47 | None | -954 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
DB09080 | 2921 | 47 | None | -954 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
145982668 | 165912 | 0 | None | -15 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 418 | 11 | 3 | 4 | 4.1 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4250215 | 165912 | 0 | None | -15 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 418 | 11 | 3 | 4 | 4.1 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
53357711 | 64496 | 0 | None | -125 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814279 | 64496 | 0 | None | -125 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814280 | 64496 | 0 | None | -125 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
56675511 | 66407 | 0 | None | -100 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814273 | 66407 | 0 | None | -100 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1851850 | 66407 | 0 | None | -100 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
42625587 | 12698 | 0 | None | -125 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
CHEMBL1187520 | 12698 | 0 | None | -125 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
CHEMBL506518 | 12698 | 0 | None | -125 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
9845280 | 77325 | 0 | None | -7 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 424 | 9 | 3 | 5 | 4.5 | COC(=O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
CHEMBL208352 | 77325 | 0 | None | -7 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 424 | 9 | 3 | 5 | 4.5 | COC(=O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
23661589 | 93419 | 0 | None | -19952 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1cccc(-c2sccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL245873 | 93419 | 0 | None | -19952 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1cccc(-c2sccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
42625741 | 12597 | 0 | None | -158 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1186940 | 12597 | 0 | None | -158 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL483202 | 12597 | 0 | None | -158 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
42625898 | 185253 | 0 | None | -501 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 591 | 17 | 7 | 9 | 1.5 | NS(=O)(=O)O.NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL485847 | 185253 | 0 | None | -501 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 591 | 17 | 7 | 9 | 1.5 | NS(=O)(=O)O.NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
145983711 | 165381 | 0 | None | -2691 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 476 | 12 | 5 | 5 | 3.5 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4237802 | 165381 | 0 | None | -2691 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 476 | 12 | 5 | 5 | 3.5 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
24895265 | 186691 | 0 | None | -70 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
CHEMBL488430 | 186691 | 0 | None | -70 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
44392552 | 64524 | 0 | None | -23 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
CHEMBL181440 | 64524 | 0 | None | -23 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
155564340 | 175422 | 0 | None | -263 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 493 | 11 | 5 | 5 | 4.9 | CC(CC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)CC(C)(C)C | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4576089 | 175422 | 0 | None | -263 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 493 | 11 | 5 | 5 | 4.9 | CC(CC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)CC(C)(C)C | 10.1016/j.bmc.2018.10.043 | ||
44574826 | 178598 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1cn(Cc2ccccc2)cn1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL467301 | 178598 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1cn(Cc2ccccc2)cn1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
45270697 | 195168 | 0 | None | -20 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203995 | 195168 | 0 | None | -20 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL550444 | 195168 | 0 | None | -20 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
44580039 | 186948 | 0 | None | -15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O)c1ccccc1 | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL490222 | 186948 | 0 | None | -15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O)c1ccccc1 | 10.1016/j.bmcl.2008.08.009 | ||
45271036 | 195226 | 0 | None | -2951 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
CHEMBL550871 | 195226 | 0 | None | -2951 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
24895363 | 173589 | 0 | None | -3162 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 447 | 11 | 3 | 4 | 5.3 | CC(C)COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL453322 | 173589 | 0 | None | -3162 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 447 | 11 | 3 | 4 | 5.3 | CC(C)COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
24895261 | 186662 | 0 | None | -676 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL488223 | 186662 | 0 | None | -676 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
42639967 | 12510 | 0 | None | -128 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 497 | 11 | 3 | 7 | 3.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL1186557 | 12510 | 0 | None | -128 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 497 | 11 | 3 | 7 | 3.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL469610 | 12510 | 0 | None | -128 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 497 | 11 | 3 | 7 | 3.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
44591506 | 179330 | 0 | None | -676 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
CHEMBL473495 | 179330 | 0 | None | -676 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
11152564 | 100013 | 0 | None | -4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
CHEMBL286818 | 100013 | 0 | None | -4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
44574651 | 178515 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 11 | 4 | 5 | 3.3 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466704 | 178515 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 11 | 4 | 5 | 3.3 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
213051 | 92577 | 2 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
CHEMBL24350 | 92577 | 2 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
65772 | 60401 | 8 | None | -5 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL174984 | 60401 | 8 | None | -5 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
164623433 | 188570 | 0 | None | -380 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4870623 | 188570 | 0 | None | -380 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028756 | 188570 | 0 | None | -380 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
9804536 | 165695 | 0 | None | -7 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 465 | 11 | 4 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4245391 | 165695 | 0 | None | -7 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 465 | 11 | 4 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
44574825 | 178596 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 13 | 3 | 6 | 4.8 | O=C(Cc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL467298 | 178596 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 13 | 3 | 6 | 4.8 | O=C(Cc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
45273276 | 195682 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204005 | 195682 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL556689 | 195682 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
44579966 | 192616 | 0 | None | -15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 9 | 3 | 4 | 4.8 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL521611 | 192616 | 0 | None | -15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 9 | 3 | 4 | 4.8 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
24949572 | 177024 | 0 | None | -34 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)c1 | 10.1021/jm800222k | ||
CHEMBL463182 | 177024 | 0 | None | -34 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)c1 | 10.1021/jm800222k | ||
44565931 | 12443 | 0 | None | -4677 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL1186040 | 12443 | 0 | None | -4677 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL446806 | 12443 | 0 | None | -4677 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
11381882 | 99300 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
CHEMBL282039 | 99300 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
155515718 | 169961 | 0 | None | -2884 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4441752 | 169961 | 0 | None | -2884 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
24894317 | 173698 | 0 | None | -22 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL453575 | 173698 | 0 | None | -22 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
44392228 | 64860 | 0 | None | -7 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 441 | 11 | 5 | 5 | 3.1 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)NC1CCCCC1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL182127 | 64860 | 0 | None | -7 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 441 | 11 | 5 | 5 | 3.1 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)NC1CCCCC1 | 10.1016/j.bmcl.2004.11.001 | ||
1028 | 291 | 71 | None | -6 | 19 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
139148732 | 291 | 71 | None | -6 | 19 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
479 | 291 | 71 | None | -6 | 19 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
5816 | 291 | 71 | None | -6 | 19 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
CHEMBL679 | 291 | 71 | None | -6 | 19 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
DB00668 | 291 | 71 | None | -6 | 19 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
155524038 | 170889 | 0 | None | -120 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 414 | 8 | 4 | 4 | 4.2 | O=c1ccc2c(C(O)CNCCCc3ccc(-c4ccccc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4454489 | 170889 | 0 | None | -120 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 414 | 8 | 4 | 4 | 4.2 | O=c1ccc2c(C(O)CNCCCc3ccc(-c4ccccc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
155550544 | 174307 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 388 | 7 | 4 | 4 | 3.6 | O=c1ccc2c(C(O)CNCCCc3ccc4ccccc4c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4550290 | 174307 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 388 | 7 | 4 | 4 | 3.6 | O=c1ccc2c(C(O)CNCCCc3ccc4ccccc4c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
44126933 | 196163 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL561291 | 196163 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
45268516 | 196241 | 0 | None | -588 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 605 | 13 | 5 | 9 | 2.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
CHEMBL561743 | 196241 | 0 | None | -588 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 605 | 13 | 5 | 9 | 2.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
16222940 | 186472 | 0 | None | -2290 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL487682 | 186472 | 0 | None | -2290 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
24895259 | 189294 | 0 | None | -588 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 528 | 12 | 5 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL512147 | 189294 | 0 | None | -588 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 528 | 12 | 5 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
44591507 | 179357 | 0 | None | -2290 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
CHEMBL473702 | 179357 | 0 | None | -2290 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
9842600 | 188114 | 0 | None | -38 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 375 | 7 | 3 | 4 | 3.0 | O=C(O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 | 10.1021/jm800222k | ||
CHEMBL498305 | 188114 | 0 | None | -38 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 375 | 7 | 3 | 4 | 3.0 | O=C(O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 | 10.1021/jm800222k | ||
44377535 | 55415 | 0 | None | -117 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 508 | 8 | 4 | 9 | 2.8 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4cccc5nc(O)ccc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
CHEMBL161949 | 55415 | 0 | None | -117 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 508 | 8 | 4 | 9 | 2.8 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4cccc5nc(O)ccc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
56673609 | 64101 | 0 | None | -112 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 499 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807873 | 64101 | 0 | None | -112 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 499 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
56672116 | 66363 | 0 | None | -630 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814276 | 66363 | 0 | None | -630 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1851624 | 66363 | 0 | None | -630 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
44441227 | 148047 | 0 | None | -10 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2nc(C(=O)O)co2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL393469 | 148047 | 0 | None | -10 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2nc(C(=O)O)co2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
145981079 | 166680 | 0 | None | -39 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3ccc(Cl)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
CHEMBL4282047 | 166680 | 0 | None | -39 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3ccc(Cl)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
164626310 | 188593 | 0 | None | -346 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4874945 | 188593 | 0 | None | -346 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028930 | 188593 | 0 | None | -346 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
164614249 | 188492 | 0 | None | -295 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4859591 | 188492 | 0 | None | -295 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028241 | 188492 | 0 | None | -295 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
24949889 | 188153 | 0 | None | -35 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 7 | 3 | 4 | 5.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CCC3)c1 | 10.1021/jm800222k | ||
CHEMBL498531 | 188153 | 0 | None | -35 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 7 | 3 | 4 | 5.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CCC3)c1 | 10.1021/jm800222k | ||
42639311 | 12522 | 0 | None | -56 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 14 | 3 | 6 | 4.5 | CCCCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL1186600 | 12522 | 0 | None | -56 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 14 | 3 | 6 | 4.5 | CCCCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL472089 | 12522 | 0 | None | -56 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 14 | 3 | 6 | 4.5 | CCCCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
44392558 | 65253 | 0 | None | -2 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
CHEMBL182770 | 65253 | 0 | None | -2 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
44237669 | 58233 | 0 | None | -7943 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 540 | 9 | 6 | 5 | 4.7 | O=C(NCc1c(Cl)cccc1Cl)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
CHEMBL1682217 | 58233 | 0 | None | -7943 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 540 | 9 | 6 | 5 | 4.7 | O=C(NCc1c(Cl)cccc1Cl)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
9933039 | 163043 | 0 | None | -6 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL417613 | 163043 | 0 | None | -6 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
9933039 | 163043 | 0 | None | -6 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL417613 | 163043 | 0 | None | -6 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
44309523 | 102187 | 0 | None | -52 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 420 | 10 | 3 | 6 | 2.3 | CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)cc3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
CHEMBL302803 | 102187 | 0 | None | -52 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 420 | 10 | 3 | 6 | 2.3 | CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)cc3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
10601234 | 112005 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 493 | 11 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(COCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
CHEMBL32888 | 112005 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 493 | 11 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(COCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
10140889 | 6064 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 484 | 12 | 4 | 6 | 3.3 | CCN(CC)C(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL108061 | 6064 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 484 | 12 | 4 | 6 | 3.3 | CCN(CC)C(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
44574978 | 189288 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 12 | 2 | 6 | 4.0 | O=C(Cc1nccn1Cc1ccccc1)N1CCCc2cc(CCNC[C@H](O)COc3ccccc3)ccc21 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL512099 | 189288 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 12 | 2 | 6 | 4.0 | O=C(Cc1nccn1Cc1ccccc1)N1CCCc2cc(CCNC[C@H](O)COc3ccccc3)ccc21 | 10.1016/j.bmc.2009.03.044 | ||
24823464 | 97616 | 0 | None | -588 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
CHEMBL270964 | 97616 | 0 | None | -588 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
24823464 | 97616 | 0 | None | -588 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
CHEMBL270964 | 97616 | 0 | None | -588 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
44392457 | 165955 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
CHEMBL425161 | 165955 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
44127677 | 195403 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1ccc2ccccc2n1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL552089 | 195403 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1ccc2ccccc2n1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
567 | 724 | 16 | None | -323 | 7 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
9841972 | 724 | 16 | None | -323 | 7 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
CHEMBL284782 | 724 | 16 | None | -323 | 7 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
11703823 | 201153 | 0 | None | -131 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 6 | 4 | 5 | 3.0 | CC(C)(Cc1ccc(Cl)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL603274 | 201153 | 0 | None | -131 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 6 | 4 | 5 | 3.0 | CC(C)(Cc1ccc(Cl)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
24950234 | 175995 | 0 | None | -223 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 494 | 10 | 4 | 5 | 5.8 | CCCNc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
CHEMBL458923 | 175995 | 0 | None | -223 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 494 | 10 | 4 | 5 | 5.8 | CCCNc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
131487 | 4979 | 13 | None | - | 1 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F | 10.1021/jm00107a027 | ||
CHEMBL10494 | 4979 | 13 | None | - | 1 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F | 10.1021/jm00107a027 | ||
24822648 | 97605 | 0 | None | -28 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
CHEMBL270889 | 97605 | 0 | None | -28 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
45484558 | 196832 | 0 | None | -4 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL565770 | 196832 | 0 | None | -4 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
44574687 | 178519 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 406 | 11 | 3 | 6 | 2.2 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466713 | 178519 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 406 | 11 | 3 | 6 | 2.2 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
44219629 | 178567 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1nccn1Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL467083 | 178567 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1nccn1Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
44126931 | 195352 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 496 | 12 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL551831 | 195352 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 496 | 12 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
24895664 | 176694 | 0 | None | -251 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 467 | 12 | 3 | 4 | 5.8 | CCCOc1cc(-c2ccc(CCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL459863 | 176694 | 0 | None | -251 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 467 | 12 | 3 | 4 | 5.8 | CCCOc1cc(-c2ccc(CCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
44396568 | 67284 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL188196 | 67284 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
9853471 | 204852 | 0 | None | -389 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL75604 | 204852 | 0 | None | -389 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
44331425 | 4443 | 0 | None | -186 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 576 | 13 | 6 | 8 | 2.5 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL101630 | 4443 | 0 | None | -186 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 576 | 13 | 6 | 8 | 2.5 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1016/s0960-894x(02)00608-x | ||
45483838 | 196930 | 0 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 383 | 7 | 4 | 4 | 3.5 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL566352 | 196930 | 0 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 383 | 7 | 4 | 4 | 3.5 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
10302342 | 109784 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 538 | 14 | 5 | 6 | 4.5 | O=C(NCCCC1CCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL323258 | 109784 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 538 | 14 | 5 | 6 | 4.5 | O=C(NCCCC1CCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
44396488 | 66729 | 0 | None | -14 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 556 | 12 | 4 | 7 | 3.8 | C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL185703 | 66729 | 0 | None | -14 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 556 | 12 | 4 | 7 | 3.8 | C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
9831168 | 204700 | 0 | None | -2 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL74085 | 204700 | 0 | None | -2 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
11005613 | 119797 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 12 | 4 | 5 | 4.3 | Cc1ccc(S(=O)(=O)NCCc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
CHEMBL348269 | 119797 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 12 | 4 | 5 | 4.3 | Cc1ccc(S(=O)(=O)NCCc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
44441234 | 93787 | 0 | None | -63 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1ccc(-c2occc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL247520 | 93787 | 0 | None | -63 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1ccc(-c2occc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
44441228 | 167770 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2nc(C(=O)O)cs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL430390 | 167770 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2nc(C(=O)O)cs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
46832507 | 14212 | 0 | None | -12 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL1085638 | 14212 | 0 | None | -12 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL1198915 | 14212 | 0 | None | -12 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
10203169 | 14237 | 0 | None | -25 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
CHEMBL1086536 | 14237 | 0 | None | -25 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
CHEMBL1199300 | 14237 | 0 | None | -25 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
44574867 | 178571 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 562 | 13 | 3 | 6 | 4.4 | O=C(Cc1nccn1Cc1ccc(Br)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL467102 | 178571 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 562 | 13 | 3 | 6 | 4.4 | O=C(Cc1nccn1Cc1ccc(Br)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
44579650 | 187153 | 0 | None | -15 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.4 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL492005 | 187153 | 0 | None | -15 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.4 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
44580041 | 193306 | 0 | None | -9 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(O)c1cc(NC(=O)c2ccccc2)cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL524145 | 193306 | 0 | None | -9 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(O)c1cc(NC(=O)c2ccccc2)cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1016/j.bmcl.2008.08.009 | ||
44127480 | 196555 | 0 | None | 6 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL563810 | 196555 | 0 | None | 6 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
44560793 | 188895 | 0 | None | -2951 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 434 | 11 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL507506 | 188895 | 0 | None | -2951 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 434 | 11 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
9873257 | 84943 | 16 | None | -74 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
CHEMBL22375 | 84943 | 16 | None | -74 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
155527926 | 171251 | 0 | None | -8709 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 451 | 11 | 5 | 5 | 3.9 | CC(C)CCC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4460095 | 171251 | 0 | None | -8709 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 451 | 11 | 5 | 5 | 3.9 | CC(C)CCC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
164612026 | 185367 | 0 | None | -776 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 237 | 4 | 3 | 4 | 1.3 | CC(C)NC(CO)c1cc(F)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.0c01195 | ||
CHEMBL4860455 | 185367 | 0 | None | -776 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 237 | 4 | 3 | 4 | 1.3 | CC(C)NC(CO)c1cc(F)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.0c01195 | ||
56670092 | 64102 | 0 | None | -112 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 445 | 13 | 4 | 7 | 2.5 | CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807874 | 64102 | 0 | None | -112 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 445 | 13 | 4 | 7 | 2.5 | CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 | 10.1016/j.bmcl.2011.05.097 | ||
56675509 | 64494 | 0 | None | -79 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814270 | 64494 | 0 | None | -79 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmc.2011.05.064 | ||
53357712 | 66405 | 0 | None | -251 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814271 | 66405 | 0 | None | -251 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1851848 | 66405 | 0 | None | -251 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
56658244 | 66406 | 0 | None | -79 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814272 | 66406 | 0 | None | -79 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1851849 | 66406 | 0 | None | -79 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
9958539 | 103103 | 0 | None | -5 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL307647 | 103103 | 0 | None | -5 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | ||
164615222 | 188504 | 0 | None | -91 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4857267 | 188504 | 0 | None | -91 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028301 | 188504 | 0 | None | -91 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
164615492 | 188507 | 0 | None | -120 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4848704 | 188507 | 0 | None | -120 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028319 | 188507 | 0 | None | -120 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
443372 | 10232 | 26 | None | -8 | 9 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
CHEMBL1160723 | 10232 | 26 | None | -8 | 9 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
CHEMBL2062275 | 10232 | 26 | None | -8 | 9 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
44392215 | 65600 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL183307 | 65600 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
5311116 | 2332 | 9 | None | 4365 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
544 | 2332 | 9 | None | 4365 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
CHEMBL207802 | 2332 | 9 | None | 4365 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
56598832 | 88266 | 0 | None | 4365 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
CHEMBL2348218 | 88266 | 0 | None | 4365 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
164617772 | 188522 | 0 | None | -173 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4848793 | 188522 | 0 | None | -173 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028458 | 188522 | 0 | None | -173 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
164611794 | 188473 | 0 | None | -131 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4854261 | 188473 | 0 | None | -131 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028104 | 188473 | 0 | None | -131 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
10289065 | 12543 | 0 | None | - | 1 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1186683 | 12543 | 0 | None | - | 1 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL474616 | 12543 | 0 | None | - | 1 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
42625511 | 12735 | 0 | None | -3 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
CHEMBL1187778 | 12735 | 0 | None | -3 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
CHEMBL520313 | 12735 | 0 | None | -3 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
90645344 | 112454 | 0 | None | -7 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298324 | 112454 | 0 | None | -7 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
10239722 | 112456 | 0 | None | -11 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298326 | 112456 | 0 | None | -11 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
164621302 | 188549 | 0 | None | -120 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4863282 | 188549 | 0 | None | -120 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028641 | 188549 | 0 | None | -120 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
164610792 | 188466 | 0 | None | -134 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4855974 | 188466 | 0 | None | -134 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028040 | 188466 | 0 | None | -134 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
145984584 | 165885 | 0 | None | -5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 444 | 10 | 5 | 4 | 4.4 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4249564 | 165885 | 0 | None | -5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 444 | 10 | 5 | 4 | 4.4 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
24822643 | 157652 | 0 | None | -4 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(F)c1 | 10.1021/jm701324c | ||
CHEMBL408145 | 157652 | 0 | None | -4 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(F)c1 | 10.1021/jm701324c | ||
44392212 | 168367 | 0 | None | 12 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204383 | 168367 | 0 | None | 12 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL434524 | 168367 | 0 | None | 12 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
45271492 | 195232 | 0 | None | 16 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203997 | 195232 | 0 | None | 16 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL550906 | 195232 | 0 | None | 16 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
10113837 | 65567 | 0 | None | -39 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 435 | 11 | 5 | 5 | 3.3 | O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL183129 | 65567 | 0 | None | -39 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 435 | 11 | 5 | 5 | 3.3 | O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
44396531 | 66833 | 0 | None | -38 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL186135 | 66833 | 0 | None | -38 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
24822469 | 97775 | 0 | None | -26 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 401 | 8 | 3 | 4 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)s1 | 10.1021/jm701324c | ||
CHEMBL271765 | 97775 | 0 | None | -26 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 401 | 8 | 3 | 4 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)s1 | 10.1021/jm701324c | ||
24950568 | 189763 | 0 | None | -234 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1 | 10.1021/jm800222k | ||
CHEMBL516002 | 189763 | 0 | None | -234 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1 | 10.1021/jm800222k | ||
11625493 | 200710 | 1 | None | -12 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL600007 | 200710 | 1 | None | -12 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
44565908 | 187122 | 0 | None | -1513 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 512 | 11 | 4 | 8 | 2.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL491726 | 187122 | 0 | None | -1513 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 512 | 11 | 4 | 8 | 2.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
10139127 | 57487 | 0 | None | -50 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 455 | 9 | 3 | 7 | 2.6 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
CHEMBL165893 | 57487 | 0 | None | -50 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 455 | 9 | 3 | 7 | 2.6 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
44589133 | 175842 | 0 | None | -2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 354 | 8 | 2 | 4 | 3.4 | CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1 | 10.1016/j.bmc.2008.11.030 | ||
CHEMBL458541 | 175842 | 0 | None | -2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 354 | 8 | 2 | 4 | 3.4 | CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1 | 10.1016/j.bmc.2008.11.030 | ||
10145446 | 4181 | 0 | None | -102 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 602 | 14 | 5 | 8 | 3.6 | O=C(NCCCc1cccs1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL100124 | 4181 | 0 | None | -102 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 602 | 14 | 5 | 8 | 3.6 | O=C(NCCCc1cccs1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
46232816 | 200952 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL601858 | 200952 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
11632691 | 201540 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL605372 | 201540 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
44377523 | 56229 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 509 | 9 | 3 | 8 | 1.0 | O=C1N=c2cccc(OC[C@@H](O)CNC3CCN(c4ccc(CC5SC(=O)NC5=O)cc4)CC3)c2=N1 | 10.1016/s0960-894x(01)00063-4 | ||
CHEMBL162711 | 56229 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 509 | 9 | 3 | 8 | 1.0 | O=C1N=c2cccc(OC[C@@H](O)CNC3CCN(c4ccc(CC5SC(=O)NC5=O)cc4)CC3)c2=N1 | 10.1016/s0960-894x(01)00063-4 | ||
9933039 | 163043 | 0 | None | -6 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL417613 | 163043 | 0 | None | -6 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
24895563 | 176736 | 0 | None | -173 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 12 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL460256 | 176736 | 0 | None | -173 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 12 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
11668125 | 201009 | 0 | None | -4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL602258 | 201009 | 0 | None | -4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
155536314 | 172173 | 0 | None | -6025 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4473515 | 172173 | 0 | None | -6025 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
24895789 | 188865 | 0 | None | -72 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 375 | 8 | 3 | 3 | 4.3 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
CHEMBL507003 | 188865 | 0 | None | -72 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 375 | 8 | 3 | 3 | 4.3 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
44396715 | 67449 | 0 | None | -20 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL189081 | 67449 | 0 | None | -20 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
155551006 | 173943 | 0 | None | -44 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4541169 | 173943 | 0 | None | -44 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
164620585 | 188543 | 0 | None | -616 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4866766 | 188543 | 0 | None | -616 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028602 | 188543 | 0 | None | -616 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
56598833 | 88265 | 0 | None | 436 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
CHEMBL2348217 | 88265 | 0 | None | 436 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
42639314 | 12568 | 0 | None | -575 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 550 | 11 | 3 | 6 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCCC1 | 10.1021/jm9000709 | ||
CHEMBL1186804 | 12568 | 0 | None | -575 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 550 | 11 | 3 | 6 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCCC1 | 10.1021/jm9000709 | ||
CHEMBL479341 | 12568 | 0 | None | -575 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 550 | 11 | 3 | 6 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCCC1 | 10.1021/jm9000709 | ||
443372 | 10232 | 26 | None | -8 | 9 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
CHEMBL1160723 | 10232 | 26 | None | -8 | 9 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
CHEMBL2062275 | 10232 | 26 | None | -8 | 9 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
145983266 | 165526 | 0 | None | -66 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 512 | 14 | 5 | 6 | 2.7 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4241176 | 165526 | 0 | None | -66 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 512 | 14 | 5 | 6 | 2.7 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
319 | 1323 | 44 | None | -2290 | 18 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
321 | 1323 | 44 | None | -2290 | 18 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
444031 | 1323 | 44 | None | -2290 | 18 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
72054 | 1323 | 44 | None | -2290 | 18 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
784 | 1323 | 44 | None | -2290 | 18 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
CHEMBL1346 | 1323 | 44 | None | -2290 | 18 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
DB00496 | 1323 | 44 | None | -2290 | 18 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
155543518 | 174996 | 0 | None | -794 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 457 | 9 | 5 | 5 | 3.7 | O=C(Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)c1ccccc1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4566727 | 174996 | 0 | None | -794 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 457 | 9 | 5 | 5 | 3.7 | O=C(Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)c1ccccc1 | 10.1016/j.bmc.2018.10.043 | ||
45101521 | 196825 | 0 | None | -4 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 570 | 15 | 8 | 9 | 1.3 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C(N)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL565747 | 196825 | 0 | None | -4 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 570 | 15 | 8 | 9 | 1.3 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C(N)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
44560794 | 173499 | 0 | None | -346 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 474 | 10 | 3 | 5 | 5.4 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
CHEMBL453056 | 173499 | 0 | None | -346 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 474 | 10 | 3 | 5 | 5.4 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
164623230 | 188569 | 0 | None | -1479 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4865710 | 188569 | 0 | None | -1479 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028744 | 188569 | 0 | None | -1479 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
44579940 | 191890 | 0 | None | -37 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc(C(=O)O)c1 | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL519985 | 191890 | 0 | None | -37 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc(C(=O)O)c1 | 10.1016/j.bmcl.2008.08.009 | ||
46232857 | 200756 | 0 | None | -19 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL600400 | 200756 | 0 | None | -19 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
42639654 | 12638 | 0 | None | -1258 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 513 | 11 | 3 | 7 | 3.8 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL1187156 | 12638 | 0 | None | -1258 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 513 | 11 | 3 | 7 | 3.8 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL491891 | 12638 | 0 | None | -1258 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 513 | 11 | 3 | 7 | 3.8 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
164615990 | 185300 | 0 | None | -831 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 427 | 9 | 5 | 6 | 1.6 | CN(C)C(=O)CNc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2 | 10.1021/acs.jmedchem.0c01195 | ||
CHEMBL4859326 | 185300 | 0 | None | -831 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 427 | 9 | 5 | 6 | 1.6 | CN(C)C(=O)CNc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2 | 10.1021/acs.jmedchem.0c01195 | ||
9832011 | 105479 | 0 | None | -138 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL312074 | 105479 | 0 | None | -138 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
11091850 | 47229 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 11 | 4 | 4 | 4.6 | Cc1ccc(CNC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
CHEMBL154370 | 47229 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 11 | 4 | 4 | 4.6 | Cc1ccc(CNC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
44441232 | 93786 | 0 | None | -19 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2ocnc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL247519 | 93786 | 0 | None | -19 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2ocnc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
9892481 | 70231 | 14 | None | -501 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL1940832 | 70231 | 14 | None | -501 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
9849126 | 12437 | 0 | None | -630 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1185969 | 12437 | 0 | None | -630 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
CHEMBL443435 | 12437 | 0 | None | -630 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
9892481 | 70231 | 14 | None | -501 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
CHEMBL1940832 | 70231 | 14 | None | -501 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
44574720 | 178548 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 11 | 4 | 5 | 4.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466923 | 178548 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 11 | 4 | 5 | 4.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
49861320 | 54964 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204003 | 54964 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1615579 | 54964 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
10048077 | 97892 | 17 | None | -52 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
CHEMBL272383 | 97892 | 17 | None | -52 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
44574757 | 178483 | 0 | None | -12 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 511 | 14 | 3 | 6 | 4.4 | O=C(Cc1cccc(OCc2ccccc2)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466467 | 178483 | 0 | None | -12 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 511 | 14 | 3 | 6 | 4.4 | O=C(Cc1cccc(OCc2ccccc2)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
10048077 | 97892 | 17 | None | -52 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
CHEMBL272383 | 97892 | 17 | None | -52 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
11003341 | 46295 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
CHEMBL153558 | 46295 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
56658246 | 64495 | 0 | None | -1258 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814277 | 64495 | 0 | None | -1258 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814278 | 64495 | 0 | None | -1258 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
11003341 | 46295 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL153558 | 46295 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
42625511 | 12735 | 0 | None | -316 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
CHEMBL1187778 | 12735 | 0 | None | -316 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
CHEMBL520313 | 12735 | 0 | None | -316 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
10180590 | 70229 | 0 | None | -707 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
CHEMBL1940830 | 70229 | 0 | None | -707 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
10202462 | 70230 | 0 | None | -223 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
CHEMBL1940831 | 70230 | 0 | None | -223 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
11669967 | 76518 | 0 | None | -12589 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 468 | 10 | 5 | 5 | 4.5 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
CHEMBL206002 | 76518 | 0 | None | -12589 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 468 | 10 | 5 | 5 | 4.5 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
45375919 | 197009 | 0 | None | -87 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1cccc(C(=O)O)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL566973 | 197009 | 0 | None | -87 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1cccc(C(=O)O)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
10232096 | 107663 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 586 | 12 | 5 | 6 | 5.1 | O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL319041 | 107663 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 586 | 12 | 5 | 6 | 5.1 | O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
44396530 | 67086 | 0 | None | -23 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL187317 | 67086 | 0 | None | -23 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
44396798 | 169390 | 0 | None | -56 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
CHEMBL442225 | 169390 | 0 | None | -56 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
45483846 | 196809 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL565685 | 196809 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
44574868 | 178572 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 534 | 13 | 3 | 6 | 4.8 | O=C(Cc1nccn1Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL467103 | 178572 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 534 | 13 | 3 | 6 | 4.8 | O=C(Cc1nccn1Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
24823131 | 97400 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1Cl | 10.1021/jm701324c | ||
CHEMBL269823 | 97400 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1Cl | 10.1021/jm701324c | ||
24823294 | 159066 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
CHEMBL409718 | 159066 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
44127374 | 196232 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccncc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL561693 | 196232 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccncc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
24823294 | 159066 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
CHEMBL409718 | 159066 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
11420551 | 12517 | 0 | None | -436 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL1186589 | 12517 | 0 | None | -436 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL471060 | 12517 | 0 | None | -436 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
24823294 | 159066 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL409718 | 159066 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
1028 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
139148732 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
479 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
5816 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
CHEMBL679 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
DB00668 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
10119515 | 108387 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL319840 | 108387 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
11758172 | 100932 | 0 | None | -181 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
CHEMBL293994 | 100932 | 0 | None | -181 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
44336319 | 6361 | 0 | None | -524 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 617 | 12 | 6 | 7 | 3.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL108214 | 6361 | 0 | None | -524 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 617 | 12 | 6 | 7 | 3.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
46232973 | 200786 | 0 | None | -19 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccccc1C(F)(F)F)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL600617 | 200786 | 0 | None | -19 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccccc1C(F)(F)F)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
44392255 | 165959 | 0 | None | -5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 401 | 11 | 5 | 5 | 2.1 | CC(C)NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL425173 | 165959 | 0 | None | -5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 401 | 11 | 5 | 5 | 2.1 | CC(C)NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
44574827 | 178630 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 518 | 13 | 3 | 6 | 4.3 | O=C(Cc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL467502 | 178630 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 518 | 13 | 3 | 6 | 4.3 | O=C(Cc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
24950401 | 177023 | 0 | None | -147 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 481 | 8 | 3 | 6 | 4.5 | CN(C)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
CHEMBL463181 | 177023 | 0 | None | -147 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 481 | 8 | 3 | 6 | 4.5 | CN(C)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
44127171 | 178516 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL466705 | 178516 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
10722793 | 113345 | 0 | None | -407 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
CHEMBL331744 | 113345 | 0 | None | -407 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
9871800 | 56486 | 0 | None | -269 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 534 | 9 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
CHEMBL163262 | 56486 | 0 | None | -269 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 534 | 9 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
46232974 | 200807 | 8 | None | -27 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL600817 | 200807 | 8 | None | -27 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
46233013 | 201302 | 0 | None | -19 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL604125 | 201302 | 0 | None | -19 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
45484538 | 14095 | 0 | None | -2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL1197779 | 14095 | 0 | None | -2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL585382 | 14095 | 0 | None | -2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
44579651 | 187154 | 0 | None | -14 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.1 | C[C@H](Cc1cccc(Oc2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL492006 | 187154 | 0 | None | -14 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.1 | C[C@H](Cc1cccc(Oc2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.08.009 | ||
24894202 | 189023 | 0 | None | -676 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 473 | 10 | 3 | 4 | 6.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
CHEMBL509156 | 189023 | 0 | None | -676 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 473 | 10 | 3 | 4 | 6.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
44574688 | 178486 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 11 | 5 | 6 | 2.0 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466519 | 178486 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 11 | 5 | 6 | 2.0 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
44574722 | 178550 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 433 | 11 | 3 | 5 | 3.5 | Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466925 | 178550 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 433 | 11 | 3 | 5 | 3.5 | Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.03.044 | ||
44219630 | 178573 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 498 | 13 | 2 | 6 | 3.7 | CN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL467116 | 178573 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 498 | 13 | 2 | 6 | 3.7 | CN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
24822310 | 97739 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
CHEMBL271576 | 97739 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
24822310 | 97739 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL271576 | 97739 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2008.08.009 | ||
44127054 | 195284 | 0 | None | 6 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL551350 | 195284 | 0 | None | 6 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
24822310 | 97739 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm800222k | ||
CHEMBL271576 | 97739 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm800222k | ||
24895365 | 173590 | 0 | None | -309 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 447 | 10 | 3 | 4 | 5.5 | CC(C)Oc1cc(-c2ccc(CC(C)(C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL453323 | 173590 | 0 | None | -309 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 447 | 10 | 3 | 4 | 5.5 | CC(C)Oc1cc(-c2ccc(CC(C)(C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
10298968 | 57504 | 0 | None | -239 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 471 | 9 | 4 | 8 | 2.3 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
CHEMBL166085 | 57504 | 0 | None | -239 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 471 | 9 | 4 | 8 | 2.3 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
44396596 | 123298 | 0 | None | -25 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL361505 | 123298 | 0 | None | -25 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
44396521 | 123678 | 0 | None | -6 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 514 | 12 | 5 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OCCN)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL362136 | 123678 | 0 | None | -6 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 514 | 12 | 5 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OCCN)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
44127171 | 178516 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466705 | 178516 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
1028 | 291 | 71 | None | -10 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
139148732 | 291 | 71 | None | -10 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
479 | 291 | 71 | None | -10 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
5816 | 291 | 71 | None | -10 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
CHEMBL679 | 291 | 71 | None | -10 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
DB00668 | 291 | 71 | None | -10 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
45101537 | 195272 | 0 | None | -1819 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
CHEMBL551272 | 195272 | 0 | None | -1819 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
45483830 | 196993 | 0 | None | -14 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL566777 | 196993 | 0 | None | -14 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
44237720 | 58236 | 0 | None | -91 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 530 | 9 | 6 | 5 | 4.4 | O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
CHEMBL1682220 | 58236 | 0 | None | -91 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 530 | 9 | 6 | 5 | 4.4 | O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
145983355 | 165799 | 0 | None | -26 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 454 | 12 | 3 | 5 | 3.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4248093 | 165799 | 0 | None | -26 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 454 | 12 | 3 | 5 | 3.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
44268273 | 97078 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | ||
CHEMBL267306 | 97078 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | ||
44392190 | 65581 | 0 | None | 4 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 421 | 10 | 5 | 5 | 3.2 | O=C(Nc1ccccc1)Nc1ccc(C[C@H](O)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL183211 | 65581 | 0 | None | 4 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 421 | 10 | 5 | 5 | 3.2 | O=C(Nc1ccccc1)Nc1ccc(C[C@H](O)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
9896742 | 204942 | 0 | None | -13 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL76403 | 204942 | 0 | None | -13 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
66653268 | 88249 | 0 | None | 3311 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
CHEMBL2348201 | 88249 | 0 | None | 3311 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
164622954 | 188564 | 0 | None | -245 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4871708 | 188564 | 0 | None | -245 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028726 | 188564 | 0 | None | -245 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
164624634 | 188583 | 0 | None | -131 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1cccc(F)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4868684 | 188583 | 0 | None | -131 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1cccc(F)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028836 | 188583 | 0 | None | -131 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1cccc(F)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
24822971 | 95446 | 0 | None | 3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2Cl)cc1 | 10.1021/jm701324c | ||
CHEMBL257106 | 95446 | 0 | None | 3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2Cl)cc1 | 10.1021/jm701324c | ||
11134054 | 46981 | 0 | None | -2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 444 | 10 | 4 | 6 | 4.1 | C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
CHEMBL154150 | 46981 | 0 | None | -2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 444 | 10 | 4 | 6 | 4.1 | C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
45484583 | 198490 | 0 | None | -3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL577702 | 198490 | 0 | None | -3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
45484585 | 14096 | 0 | None | -3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL1197807 | 14096 | 0 | None | -3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL587197 | 14096 | 0 | None | -3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
24936626 | 17407 | 0 | None | -173 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1257555 | 17407 | 0 | None | -173 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
45483814 | 197270 | 0 | None | -5 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL568531 | 197270 | 0 | None | -5 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
44392212 | 168367 | 0 | None | 12 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL1204383 | 168367 | 0 | None | 12 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL434524 | 168367 | 0 | None | 12 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
56597179 | 88267 | 0 | None | 2754 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
CHEMBL2348219 | 88267 | 0 | None | 2754 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
45483868 | 197220 | 0 | None | -6 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL568273 | 197220 | 0 | None | -6 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
45483864 | 198907 | 0 | None | -9 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL584498 | 198907 | 0 | None | -9 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
24823624 | 159159 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
CHEMBL409827 | 159159 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
16049028 | 64083 | 0 | None | -50 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 462 | 14 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807819 | 64083 | 0 | None | -50 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 462 | 14 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
11592062 | 112455 | 0 | None | -25 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298325 | 112455 | 0 | None | -25 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
24822645 | 95491 | 0 | None | -15 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(Cl)c1 | 10.1021/jm701324c | ||
CHEMBL257297 | 95491 | 0 | None | -15 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(Cl)c1 | 10.1021/jm701324c | ||
45269866 | 195292 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL2448072 | 195292 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL551389 | 195292 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
45269025 | 196145 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203991 | 196145 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL561173 | 196145 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
45267257 | 196680 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203987 | 196680 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL564648 | 196680 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
10283146 | 107271 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL317003 | 107271 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
1960 | 2855 | 67 | None | -38 | 19 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
439260 | 2855 | 67 | None | -38 | 19 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
505 | 2855 | 67 | None | -38 | 19 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
CHEMBL1437 | 2855 | 67 | None | -38 | 19 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
DB00368 | 2855 | 67 | None | -38 | 19 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
164623583 | 188574 | 0 | None | -316 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4873280 | 188574 | 0 | None | -316 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028767 | 188574 | 0 | None | -316 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
24822970 | 158118 | 0 | None | -9 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.5 | O=C(O)Cc1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
CHEMBL408694 | 158118 | 0 | None | -9 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.5 | O=C(O)Cc1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
11224220 | 172965 | 0 | None | -2137 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 431 | 10 | 3 | 3 | 5.5 | CC(C)Cc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL451760 | 172965 | 0 | None | -2137 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 431 | 10 | 3 | 3 | 5.5 | CC(C)Cc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
172745 | 100121 | 7 | None | 234 | 2 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
CHEMBL287587 | 100121 | 7 | None | 234 | 2 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
44268268 | 18649 | 1 | None | -301 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
CHEMBL12769 | 18649 | 1 | None | -301 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
16049377 | 64096 | 0 | None | -112 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807832 | 64096 | 0 | None | -112 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
56665368 | 66457 | 0 | None | -31 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1835854 | 66457 | 0 | None | -31 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1852119 | 66457 | 0 | None | -31 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
56672271 | 66539 | 0 | None | -125 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1835859 | 66539 | 0 | None | -125 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1852407 | 66539 | 0 | None | -125 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
56672269 | 66585 | 0 | None | -50 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1835858 | 66585 | 0 | None | -50 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1852564 | 66585 | 0 | None | -50 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
56658405 | 66586 | 0 | None | -63 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1835856 | 66586 | 0 | None | -63 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1852565 | 66586 | 0 | None | -63 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
46832505 | 14233 | 1 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
CHEMBL1085395 | 14233 | 1 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
CHEMBL1199261 | 14233 | 1 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
46889854 | 7306 | 0 | None | -9 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
CHEMBL1086077 | 7306 | 0 | None | -9 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
24949728 | 175238 | 0 | None | -436 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 479 | 8 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
CHEMBL457199 | 175238 | 0 | None | -436 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 479 | 8 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
44127679 | 195460 | 0 | None | -37 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 422 | 11 | 4 | 7 | 1.9 | O=C(Cc1cnccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL552497 | 195460 | 0 | None | -37 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 422 | 11 | 4 | 7 | 1.9 | O=C(Cc1cnccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
9891927 | 184195 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL446840 | 184195 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL483200 | 184195 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL483201 | 184195 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
9891927 | 184195 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL446840 | 184195 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL483200 | 184195 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL483201 | 184195 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
44331302 | 208326 | 0 | None | -630 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 667 | 12 | 6 | 8 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL99219 | 208326 | 0 | None | -630 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 667 | 12 | 6 | 8 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
11661536 | 75974 | 0 | None | -50 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cncc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
CHEMBL205389 | 75974 | 0 | None | -50 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cncc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
145987415 | 167246 | 0 | None | -1258 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3cccc(Cl)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
CHEMBL4292648 | 167246 | 0 | None | -1258 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3cccc(Cl)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
24895192 | 189862 | 0 | None | -151 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 437 | 10 | 3 | 4 | 4.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(F)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL516804 | 189862 | 0 | None | -151 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 437 | 10 | 3 | 4 | 4.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(F)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
42639969 | 12570 | 0 | None | -1584 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 11 | 4 | 7 | 3.1 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL1186809 | 12570 | 0 | None | -1584 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 11 | 4 | 7 | 3.1 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL479530 | 12570 | 0 | None | -1584 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 11 | 4 | 7 | 3.1 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
16118894 | 2241 | 5 | None | -147 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
3467 | 2241 | 5 | None | -147 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
CHEMBL276257 | 2241 | 5 | None | -147 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
45483815 | 198440 | 0 | None | -11 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(C(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL577289 | 198440 | 0 | None | -11 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(C(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
44574721 | 178549 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 419 | 11 | 3 | 5 | 3.1 | Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466924 | 178549 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 419 | 11 | 3 | 5 | 3.1 | Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
24950238 | 174952 | 0 | None | -69 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 437 | 7 | 3 | 4 | 5.0 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c1 | 10.1021/jm800222k | ||
CHEMBL456578 | 174952 | 0 | None | -69 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 437 | 7 | 3 | 4 | 5.0 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c1 | 10.1021/jm800222k | ||
45270697 | 195168 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203995 | 195168 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL550444 | 195168 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
24949568 | 189681 | 0 | None | -338 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 536 | 9 | 4 | 6 | 5.6 | O=C(O)c1cc(NC2CCOCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
CHEMBL515349 | 189681 | 0 | None | -338 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 536 | 9 | 4 | 6 | 5.6 | O=C(O)c1cc(NC2CCOCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
10075383 | 97103 | 0 | None | -537 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
CHEMBL267545 | 97103 | 0 | None | -537 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
46232768 | 199632 | 0 | None | -14 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL592879 | 199632 | 0 | None | -14 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
164624092 | 188579 | 0 | None | -794 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 442 | 10 | 4 | 7 | 2.9 | COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4865514 | 188579 | 0 | None | -794 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 442 | 10 | 4 | 7 | 2.9 | COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028807 | 188579 | 0 | None | -794 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 442 | 10 | 4 | 7 | 2.9 | COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
145986105 | 165368 | 0 | None | -25 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 429 | 10 | 4 | 4 | 4.0 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4237453 | 165368 | 0 | None | -25 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 429 | 10 | 4 | 4 | 4.0 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
44219641 | 178437 | 0 | None | -5 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466088 | 178437 | 0 | None | -5 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
24822815 | 97940 | 0 | None | -588 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
CHEMBL272583 | 97940 | 0 | None | -588 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
44127678 | 196300 | 0 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1cc2ccccc2cn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL562153 | 196300 | 0 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1cc2ccccc2cn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
1960 | 2855 | 67 | None | -38 | 19 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
439260 | 2855 | 67 | None | -38 | 19 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
505 | 2855 | 67 | None | -38 | 19 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
CHEMBL1437 | 2855 | 67 | None | -38 | 19 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
DB00368 | 2855 | 67 | None | -38 | 19 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
10275157 | 5375 | 0 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 442 | 10 | 5 | 6 | 2.2 | CNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL107012 | 5375 | 0 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 442 | 10 | 5 | 6 | 2.2 | CNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
10283539 | 167863 | 0 | None | -1479 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL431048 | 167863 | 0 | None | -1479 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
9800339 | 201151 | 11 | None | -251 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL603271 | 201151 | 11 | None | -251 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
24823626 | 98044 | 0 | None | -6 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1cccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm701324c | ||
CHEMBL273098 | 98044 | 0 | None | -6 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1cccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm701324c | ||
155557083 | 174539 | 0 | None | -724 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4556022 | 174539 | 0 | None | -724 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
145982607 | 165718 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 432 | 12 | 3 | 4 | 4.0 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)Cc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4245968 | 165718 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 432 | 12 | 3 | 4 | 4.0 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)Cc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
24949566 | 174870 | 1 | None | -281 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 494 | 8 | 4 | 5 | 5.0 | CC(=O)Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
CHEMBL456353 | 174870 | 1 | None | -281 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 494 | 8 | 4 | 5 | 5.0 | CC(=O)Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
1862 | 161 | 18 | None | -9 | 2 | Guinea pig | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00118a019 | ||
510 | 161 | 18 | None | -9 | 2 | Guinea pig | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00118a019 | ||
CHEMBL281232 | 161 | 18 | None | -9 | 2 | Guinea pig | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00118a019 | ||
24824079 | 12891 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | O=C(O)COc1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
CHEMBL1188934 | 12891 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | O=C(O)COc1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
CHEMBL537693 | 12891 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | O=C(O)COc1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
24895357 | 186293 | 0 | None | -194 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 10 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL487443 | 186293 | 0 | None | -194 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 10 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
42639965 | 12716 | 0 | None | -691 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1CC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL1187643 | 12716 | 0 | None | -691 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1CC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL513419 | 12716 | 0 | None | -691 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1CC1CCCCC1 | 10.1021/jm9000709 | ||
44457929 | 84775 | 0 | None | -114 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
CHEMBL22318 | 84775 | 0 | None | -114 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
24823130 | 97702 | 0 | None | -38 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1F | 10.1021/jm701324c | ||
CHEMBL271367 | 97702 | 0 | None | -38 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1F | 10.1021/jm701324c | ||
44580011 | 186798 | 0 | None | -52 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL489200 | 186798 | 0 | None | -52 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
9997789 | 186299 | 1 | None | -107 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c01195 | ||
CHEMBL4874511 | 186299 | 1 | None | -107 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c01195 | ||
CHEMBL5192245 | 186299 | 1 | None | -107 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c01195 | ||
24895263 | 194548 | 0 | None | -1122 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)O)c(OC4CCCCC4)c3)cc2)cn1 | 10.1021/jm8000345 | ||
CHEMBL529659 | 194548 | 0 | None | -1122 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)O)c(OC4CCCCC4)c3)cc2)cn1 | 10.1021/jm8000345 | ||
44591508 | 178993 | 0 | None | -1122 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccncc1[C@@H](O)CNCCc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1 | 10.1021/jm9000709 | ||
CHEMBL470857 | 178993 | 0 | None | -1122 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccncc1[C@@H](O)CNCCc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1 | 10.1021/jm9000709 | ||
319 | 1323 | 44 | None | -43 | 18 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
321 | 1323 | 44 | None | -43 | 18 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
444031 | 1323 | 44 | None | -43 | 18 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
72054 | 1323 | 44 | None | -43 | 18 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
784 | 1323 | 44 | None | -43 | 18 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1346 | 1323 | 44 | None | -43 | 18 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
DB00496 | 1323 | 44 | None | -43 | 18 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
56670158 | 64094 | 0 | None | -15 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 497 | 13 | 5 | 7 | 2.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC[S+]([O-])CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807830 | 64094 | 0 | None | -15 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 497 | 13 | 5 | 7 | 2.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC[S+]([O-])CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
16049309 | 64098 | 0 | None | -100 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807870 | 64098 | 0 | None | -100 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
56663238 | 64100 | 0 | None | -251 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807872 | 64100 | 0 | None | -251 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
1239 | 1675 | 55 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
3410 | 1675 | 55 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
3465 | 1675 | 55 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1256786 | 1675 | 55 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
DB00983 | 1675 | 55 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
3083544 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1200811 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1363 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1951071 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL605993 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
DB00983 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
DB01274 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
10288976 | 66578 | 0 | None | -251 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1835862 | 66578 | 0 | None | -251 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1852543 | 66578 | 0 | None | -251 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
1239 | 1675 | 55 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
3410 | 1675 | 55 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
3465 | 1675 | 55 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
CHEMBL1256786 | 1675 | 55 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
DB00983 | 1675 | 55 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
3083544 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
CHEMBL1200811 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
CHEMBL1363 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
CHEMBL1951071 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
CHEMBL605993 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
DB00983 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
DB01274 | 26807 | 51 | None | -199 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
49861320 | 54964 | 0 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204003 | 54964 | 0 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1615579 | 54964 | 0 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
44565932 | 187009 | 0 | None | -4897 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 528 | 11 | 4 | 8 | 3.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL490733 | 187009 | 0 | None | -4897 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 528 | 11 | 4 | 8 | 3.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
10305108 | 111441 | 0 | None | -77 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 659 | 17 | 6 | 8 | 4.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL327519 | 111441 | 0 | None | -77 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 659 | 17 | 6 | 8 | 4.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
44441233 | 148054 | 0 | None | -100 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2ocnc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL393471 | 148054 | 0 | None | -100 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2ocnc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
10184665 | 3989 | 51 | None | -173 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
4799 | 3989 | 51 | None | -173 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
7353 | 3989 | 51 | None | -173 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1198857 | 3989 | 51 | None | -173 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
DB09082 | 3989 | 51 | None | -173 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
10184665 | 3989 | 51 | None | -173 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
4799 | 3989 | 51 | None | -173 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
7353 | 3989 | 51 | None | -173 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
CHEMBL1198857 | 3989 | 51 | None | -173 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
DB09082 | 3989 | 51 | None | -173 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
11038599 | 47866 | 0 | None | -25 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 516 | 11 | 5 | 6 | 3.7 | C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
CHEMBL154906 | 47866 | 0 | None | -25 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 516 | 11 | 5 | 6 | 3.7 | C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
9512 | 3634 | 42 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
9887812 | 3634 | 42 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
CHEMBL208427 | 3634 | 42 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
DB06190 | 3634 | 42 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
44441236 | 93421 | 0 | None | -3162 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 416 | 9 | 4 | 5 | 4.5 | O=C(O)c1ccsc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL245875 | 93421 | 0 | None | -3162 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 416 | 9 | 4 | 5 | 4.5 | O=C(O)c1ccsc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
10298567 | 65951 | 0 | None | -5 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL183611 | 65951 | 0 | None | -5 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2004.11.001 | ||
164625303 | 188587 | 0 | None | -316 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4873082 | 188587 | 0 | None | -316 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028871 | 188587 | 0 | None | -316 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
164623918 | 188576 | 0 | None | -199 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.8 | O=c1ccc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4872480 | 188576 | 0 | None | -199 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.8 | O=c1ccc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028793 | 188576 | 0 | None | -199 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.8 | O=c1ccc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
164608750 | 188456 | 0 | None | -181 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4846631 | 188456 | 0 | None | -181 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5027923 | 188456 | 0 | None | -181 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
164615474 | 188506 | 0 | None | -61 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4847767 | 188506 | 0 | None | -61 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028315 | 188506 | 0 | None | -61 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
164617688 | 188520 | 0 | None | -416 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4847536 | 188520 | 0 | None | -416 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028449 | 188520 | 0 | None | -416 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
56598967 | 88259 | 0 | None | 2238 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
CHEMBL2348211 | 88259 | 0 | None | 2238 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
45101520 | 198782 | 0 | None | -3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 513 | 12 | 7 | 8 | 1.2 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL583235 | 198782 | 0 | None | -3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 513 | 12 | 7 | 8 | 1.2 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
46232769 | 200838 | 0 | None | -6 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL601036 | 200838 | 0 | None | -6 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
164614743 | 188497 | 0 | None | -134 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4860764 | 188497 | 0 | None | -134 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028269 | 188497 | 0 | None | -134 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
45484536 | 197212 | 0 | None | -5 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 527 | 13 | 7 | 8 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL568239 | 197212 | 0 | None | -5 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 527 | 13 | 7 | 8 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
559926 | 97005 | 5 | None | 27 | 2 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 255 | 5 | 4 | 5 | 1.2 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 | 10.1021/jm00107a027 | ||
CHEMBL266619 | 97005 | 5 | None | 27 | 2 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 255 | 5 | 4 | 5 | 1.2 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 | 10.1021/jm00107a027 | ||
45270673 | 195422 | 0 | None | 58 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203992 | 195422 | 0 | None | 58 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL552253 | 195422 | 0 | None | 58 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
45273280 | 195717 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204006 | 195717 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL557095 | 195717 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
44396513 | 66721 | 0 | None | -30 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL185660 | 66721 | 0 | None | -30 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
10420352 | 168738 | 10 | None | 83 | 2 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
CHEMBL43711 | 168738 | 10 | None | 83 | 2 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
10076548 | 163262 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.7 | CCCCN(C(=O)CC(=O)O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
CHEMBL418600 | 163262 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.7 | CCCCN(C(=O)CC(=O)O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
24893966 | 176737 | 0 | None | -724 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 12 | 3 | 5 | 4.8 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL460257 | 176737 | 0 | None | -724 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 12 | 3 | 5 | 4.8 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
44331766 | 4656 | 0 | None | -2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 9 | 3 | 4 | 4.3 | O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12 | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL103137 | 4656 | 0 | None | -2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 9 | 3 | 4 | 4.3 | O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12 | 10.1016/s0960-894x(02)00607-8 | ||
22063464 | 201008 | 0 | None | -10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL602257 | 201008 | 0 | None | -10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
10189730 | 5275 | 0 | None | -426 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 647 | 14 | 6 | 8 | 3.4 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL106511 | 5275 | 0 | None | -426 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 647 | 14 | 6 | 8 | 3.4 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
145984324 | 165837 | 0 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 11 | 4 | 4 | 4.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=S)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4248727 | 165837 | 0 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 11 | 4 | 4 | 4.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=S)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
44574723 | 178521 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.5 | O=C(Cc1cccc(Cl)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466726 | 178521 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.5 | O=C(Cc1cccc(Cl)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
155567283 | 175968 | 0 | None | -588 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4588479 | 175968 | 0 | None | -588 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
44377771 | 165545 | 0 | None | -70 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 596 | 10 | 5 | 9 | 3.4 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
CHEMBL424167 | 165545 | 0 | None | -70 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 596 | 10 | 5 | 9 | 3.4 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
1028 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
139148732 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
479 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
5816 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
CHEMBL679 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
DB00668 | 291 | 71 | None | -6 | 19 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
46232856 | 201341 | 0 | None | -128 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL604333 | 201341 | 0 | None | -128 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
10651147 | 110681 | 0 | None | -10964 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 596 | 12 | 6 | 8 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
CHEMBL32599 | 110681 | 0 | None | -10964 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 596 | 12 | 6 | 8 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
44392542 | 65860 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
CHEMBL183552 | 65860 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
11432806 | 66195 | 0 | None | -134 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
11432806 | 66195 | 0 | None | -134 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL184407 | 66195 | 0 | None | -134 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
CHEMBL184407 | 66195 | 0 | None | -134 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
164612025 | 188475 | 0 | None | -2454 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4860454 | 188475 | 0 | None | -2454 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028117 | 188475 | 0 | None | -2454 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
24895669 | 190665 | 0 | None | -7079 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 435 | 10 | 4 | 5 | 4.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL518168 | 190665 | 0 | None | -7079 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 435 | 10 | 4 | 5 | 4.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
44392575 | 64370 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
CHEMBL181300 | 64370 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
52949489 | 17545 | 0 | None | -21 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1258024 | 17545 | 0 | None | -21 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
44268324 | 16782 | 0 | None | -141 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
CHEMBL12450 | 16782 | 0 | None | -141 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
10626150 | 100024 | 0 | None | -295 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 534 | 11 | 5 | 9 | 1.3 | CCOC(=O)CNC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
CHEMBL286868 | 100024 | 0 | None | -295 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 534 | 11 | 5 | 9 | 1.3 | CCOC(=O)CNC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
44336180 | 6467 | 0 | None | -15 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1ccc(F)cc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL108263 | 6467 | 0 | None | -15 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1ccc(F)cc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
11270071 | 98988 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
CHEMBL279931 | 98988 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
24949564 | 189519 | 0 | None | -147 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 452 | 7 | 4 | 5 | 4.6 | Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
CHEMBL514094 | 189519 | 0 | None | -147 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 452 | 7 | 4 | 5 | 4.6 | Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
24893964 | 186663 | 0 | None | -1862 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
CHEMBL488224 | 186663 | 0 | None | -1862 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
24893964 | 186663 | 0 | None | -1862 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL488224 | 186663 | 0 | None | -1862 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
3038500 | 9338 | 12 | None | -831 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
CHEMBL111201 | 9338 | 12 | None | -831 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
10187653 | 4334 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 11 | 5 | 7 | 3.5 | O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL100970 | 4334 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 11 | 5 | 7 | 3.5 | O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
44396736 | 66866 | 0 | None | -11 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL186271 | 66866 | 0 | None | -11 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
44127056 | 195363 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1ccsc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL551892 | 195363 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1ccsc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
24949420 | 188113 | 1 | None | -51 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
CHEMBL498304 | 188113 | 1 | None | -51 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
42639652 | 12729 | 0 | None | -1513 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 495 | 11 | 3 | 6 | 3.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL1187716 | 12729 | 0 | None | -1513 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 495 | 11 | 3 | 6 | 3.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL516209 | 12729 | 0 | None | -1513 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 495 | 11 | 3 | 6 | 3.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
45483847 | 196810 | 0 | None | -2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL565686 | 196810 | 0 | None | -2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
45483816 | 197134 | 0 | None | -12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL567833 | 197134 | 0 | None | -12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.10.013 | ||
52947562 | 17685 | 0 | None | 3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1258486 | 17685 | 0 | None | 3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
11026016 | 46698 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 411 | 10 | 4 | 5 | 2.5 | C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
CHEMBL153916 | 46698 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 411 | 10 | 4 | 5 | 2.5 | C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
10902809 | 48075 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 304 | 7 | 3 | 3 | 3.5 | C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
CHEMBL155072 | 48075 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 304 | 7 | 3 | 3 | 3.5 | C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
2419 | 3461 | 84 | None | -10 | 14 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
5152 | 3461 | 84 | None | -10 | 14 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
559 | 3461 | 84 | None | -10 | 14 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
CHEMBL1263 | 3461 | 84 | None | -10 | 14 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
DB00938 | 3461 | 84 | None | -10 | 14 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
155543358 | 174771 | 0 | None | -102 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccccc3O)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4561253 | 174771 | 0 | None | -102 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccccc3O)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
45484568 | 198348 | 0 | None | -10 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 541 | 13 | 6 | 8 | 1.8 | CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL576428 | 198348 | 0 | None | -10 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 541 | 13 | 6 | 8 | 1.8 | CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.06.104 | ||
45483843 | 197034 | 0 | None | -9 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL567192 | 197034 | 0 | None | -9 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
45484569 | 197632 | 0 | None | -4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 596 | 13 | 6 | 9 | 1.5 | CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4c3OCC(=O)N4)cc2)CC1 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL570834 | 197632 | 0 | None | -4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 596 | 13 | 6 | 9 | 1.5 | CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4c3OCC(=O)N4)cc2)CC1 | 10.1016/j.bmcl.2009.06.104 | ||
45268128 | 196320 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203988 | 196320 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL562315 | 196320 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
10233153 | 4227 | 0 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 642 | 11 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4ccc5c(C(=O)O)cccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL100351 | 4227 | 0 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 642 | 11 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4ccc5c(C(=O)O)cccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
10553602 | 127150 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 0.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
CHEMBL36568 | 127150 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 0.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
9893058 | 66380 | 0 | None | -39 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814267 | 66380 | 0 | None | -39 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1851721 | 66380 | 0 | None | -39 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
56678849 | 66624 | 0 | None | -63 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814275 | 66624 | 0 | None | -63 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1852744 | 66624 | 0 | None | -63 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
56675663 | 66587 | 0 | None | -50 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1835861 | 66587 | 0 | None | -50 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1852575 | 66587 | 0 | None | -50 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
46833102 | 14204 | 0 | None | -31 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL1084656 | 14204 | 0 | None | -31 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL1198882 | 14204 | 0 | None | -31 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
44574913 | 178574 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 526 | 15 | 2 | 6 | 4.5 | CCCN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL467117 | 178574 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 526 | 15 | 2 | 6 | 4.5 | CCCN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
24895667 | 176849 | 0 | None | -208 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL461282 | 176849 | 0 | None | -208 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
10003858 | 189093 | 1 | None | -3548 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 449 | 10 | 4 | 5 | 4.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL510100 | 189093 | 1 | None | -3548 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 449 | 10 | 4 | 5 | 4.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
42625513 | 12557 | 0 | None | -1000 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
CHEMBL1186722 | 12557 | 0 | None | -1000 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
CHEMBL475389 | 12557 | 0 | None | -1000 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
42625515 | 12728 | 0 | None | -794 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1187711 | 12728 | 0 | None | -794 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL516056 | 12728 | 0 | None | -794 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
11718543 | 165830 | 0 | None | -125 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)n1 | 10.1021/jm0509445 | ||
CHEMBL424866 | 165830 | 0 | None | -125 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)n1 | 10.1021/jm0509445 | ||
9801145 | 93420 | 0 | None | -630 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 400 | 9 | 4 | 5 | 4.0 | O=C(O)c1ccoc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL245874 | 93420 | 0 | None | -630 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 400 | 9 | 4 | 5 | 4.0 | O=C(O)c1ccoc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
11605652 | 12553 | 0 | None | -501 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1186715 | 12553 | 0 | None | -501 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL475236 | 12553 | 0 | None | -501 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
44392240 | 64317 | 0 | None | -6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 401 | 12 | 5 | 5 | 2.2 | CCCNC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
CHEMBL181115 | 64317 | 0 | None | -6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 401 | 12 | 5 | 5 | 2.2 | CCCNC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
44580010 | 186797 | 0 | None | -46 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 441 | 10 | 3 | 5 | 4.7 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL489199 | 186797 | 0 | None | -46 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 441 | 10 | 3 | 5 | 4.7 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
24894319 | 189857 | 0 | None | -213 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 11 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL516785 | 189857 | 0 | None | -213 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 11 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
10202842 | 164157 | 0 | None | -16 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 428 | 10 | 5 | 6 | 1.9 | NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL421030 | 164157 | 0 | None | -16 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 428 | 10 | 5 | 6 | 1.9 | NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
24895561 | 176851 | 0 | None | -194 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 509 | 11 | 3 | 5 | 6.1 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
CHEMBL461301 | 176851 | 0 | None | -194 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 509 | 11 | 3 | 5 | 6.1 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
44331443 | 4447 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 689 | 14 | 7 | 9 | 2.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL101674 | 4447 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 689 | 14 | 7 | 9 | 2.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
44331351 | 208139 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 610 | 13 | 6 | 8 | 2.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL98088 | 208139 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 610 | 13 | 6 | 8 | 2.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
10209574 | 5437 | 0 | None | -22 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1cc(F)ccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL107382 | 5437 | 0 | None | -22 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1cc(F)ccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
10304565 | 107375 | 0 | None | -11 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 622 | 12 | 5 | 7 | 3.6 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c(F)c3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL317809 | 107375 | 0 | None | -11 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 622 | 12 | 5 | 7 | 3.6 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c(F)c3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
44396577 | 66950 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL186676 | 66950 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
24822817 | 95293 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
CHEMBL256418 | 95293 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
24822817 | 95293 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
CHEMBL256418 | 95293 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
24822817 | 95293 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL256418 | 95293 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
44237613 | 58231 | 0 | None | -2754 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 502 | 10 | 6 | 6 | 3.4 | COc1ccccc1CNC(=O)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
CHEMBL1682215 | 58231 | 0 | None | -2754 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 502 | 10 | 6 | 6 | 3.4 | COc1ccccc1CNC(=O)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
44580009 | 186799 | 0 | None | -42 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.0 | Cc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL489201 | 186799 | 0 | None | -42 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.0 | Cc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
44127575 | 194822 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1cccs1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL539226 | 194822 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1cccs1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
45270391 | 195452 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 459 | 11 | 4 | 6 | 3.8 | O=C(CC1C=Nc2ccccc21)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL552434 | 195452 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 459 | 11 | 4 | 6 | 3.8 | O=C(CC1C=Nc2ccccc21)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
45273276 | 195682 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204005 | 195682 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL556689 | 195682 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
24822472 | 97412 | 0 | None | -38 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
CHEMBL269920 | 97412 | 0 | None | -38 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
44237670 | 58235 | 0 | None | -8128 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 534 | 9 | 6 | 5 | 5.4 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
CHEMBL1682219 | 58235 | 0 | None | -8128 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 534 | 9 | 6 | 5 | 5.4 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
44396737 | 66856 | 0 | None | -47 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 683 | 14 | 4 | 10 | 5.2 | CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3c(C[C@@H](C)NC[C@H](O)c4cccc(NS(=O)(=O)c5cccs5)c4)c[nH]c23)cc1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL186236 | 66856 | 0 | None | -47 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 683 | 14 | 4 | 10 | 5.2 | CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3c(C[C@@H](C)NC[C@H](O)c4cccc(NS(=O)(=O)c5cccs5)c4)c[nH]c23)cc1 | 10.1016/j.bmcl.2004.10.035 | ||
44444173 | 93979 | 0 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 11 | 4 | 7 | 3.3 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
CHEMBL248547 | 93979 | 0 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 11 | 4 | 7 | 3.3 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
44331426 | 4421 | 0 | None | -114 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 578 | 13 | 7 | 9 | 1.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL101521 | 4421 | 0 | None | -114 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 578 | 13 | 7 | 9 | 1.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
44127048 | 195353 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 436 | 11 | 5 | 6 | 2.6 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(O)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL551832 | 195353 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 436 | 11 | 5 | 6 | 2.6 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(O)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
1499 | 2089 | 47 | None | -60 | 38 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
3779 | 2089 | 47 | None | -60 | 38 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
536 | 2089 | 47 | None | -60 | 38 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
CHEMBL434 | 2089 | 47 | None | -60 | 38 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
DB01064 | 2089 | 47 | None | -60 | 38 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
24936491 | 17518 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1257916 | 17518 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
9845282 | 75950 | 0 | None | -63 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
CHEMBL205224 | 75950 | 0 | None | -63 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
155564079 | 175409 | 0 | None | -97 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 442 | 8 | 4 | 4 | 4.9 | CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4575759 | 175409 | 0 | None | -97 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 442 | 8 | 4 | 4 | 4.9 | CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
56943515 | 112442 | 0 | None | -7 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298213 | 112442 | 0 | None | -7 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
11169365 | 112510 | 0 | None | -22 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298986 | 112510 | 0 | None | -22 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
164612262 | 188477 | 0 | None | -190 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4853372 | 188477 | 0 | None | -190 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028127 | 188477 | 0 | None | -190 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
5493324 | 98900 | 24 | None | -208 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
CHEMBL279260 | 98900 | 24 | None | -208 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
24822972 | 97529 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(CCNC[C@H](O)c2cccc(Cl)c2)ccc1-c1ccc(C(=O)O)cc1 | 10.1021/jm701324c | ||
CHEMBL270460 | 97529 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(CCNC[C@H](O)c2cccc(Cl)c2)ccc1-c1ccc(C(=O)O)cc1 | 10.1021/jm701324c | ||
52948056 | 17517 | 0 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1257915 | 17517 | 0 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
45483844 | 198394 | 0 | None | -4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL576848 | 198394 | 0 | None | -4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
155513474 | 169738 | 0 | None | -83 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 8 | 4 | 4 | 5.1 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4438531 | 169738 | 0 | None | -83 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 8 | 4 | 4 | 5.1 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
164618278 | 188525 | 0 | None | -389 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4848018 | 188525 | 0 | None | -389 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028489 | 188525 | 0 | None | -389 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
45271518 | 195082 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203999 | 195082 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL549689 | 195082 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
45270690 | 195119 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203994 | 195119 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL550037 | 195119 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
45273281 | 195736 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL2448075 | 195736 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL557295 | 195736 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
10008017 | 99870 | 10 | None | -7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 562 | 12 | 6 | 8 | 2.3 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
CHEMBL285881 | 99870 | 10 | None | -7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 562 | 12 | 6 | 8 | 2.3 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
44127782 | 196673 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL564556 | 196673 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
52944986 | 17611 | 0 | None | -72 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1258257 | 17611 | 0 | None | -72 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | ||
10187201 | 5179 | 0 | None | -77 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 540 | 17 | 5 | 6 | 4.9 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL106022 | 5179 | 0 | None | -77 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 540 | 17 | 5 | 6 | 4.9 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
44312924 | 164824 | 0 | None | -123 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL421871 | 164824 | 0 | None | -123 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
44219641 | 178437 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466088 | 178437 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
24895791 | 186638 | 0 | None | -199 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL488051 | 186638 | 0 | None | -199 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
44580040 | 187118 | 0 | None | -389 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 510 | 10 | 4 | 5 | 5.7 | CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL491645 | 187118 | 0 | None | -389 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 510 | 10 | 4 | 5 | 5.7 | CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
24950560 | 172742 | 0 | None | -16 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccccc2Cl)CC3)cc1 | 10.1021/jm800222k | ||
CHEMBL450842 | 172742 | 0 | None | -16 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccccc2Cl)CC3)cc1 | 10.1021/jm800222k | ||
145984042 | 165673 | 0 | None | -1348 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 475 | 13 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4244929 | 165673 | 0 | None | -1348 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 475 | 13 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
24824225 | 12821 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 454 | 11 | 3 | 5 | 4.4 | CN(c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)c1ccc(OCC(=O)O)cc1 | 10.1021/jm701324c | ||
CHEMBL1188359 | 12821 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 454 | 11 | 3 | 5 | 4.4 | CN(c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)c1ccc(OCC(=O)O)cc1 | 10.1021/jm701324c | ||
CHEMBL536108 | 12821 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 454 | 11 | 3 | 5 | 4.4 | CN(c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)c1ccc(OCC(=O)O)cc1 | 10.1021/jm701324c | ||
10092953 | 98033 | 0 | None | -34 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
CHEMBL273028 | 98033 | 0 | None | -34 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
16049376 | 64099 | 0 | None | -44 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1807871 | 64099 | 0 | None | -44 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
10238776 | 66474 | 0 | None | -79 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1835853 | 66474 | 0 | None | -79 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1852214 | 66474 | 0 | None | -79 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
24900689 | 70361 | 0 | None | -112 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945039 | 70361 | 0 | None | -112 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
11002571 | 48097 | 0 | None | 1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 348 | 8 | 4 | 4 | 3.2 | C[C@H](CNc1ccc(C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
CHEMBL155092 | 48097 | 0 | None | 1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 348 | 8 | 4 | 4 | 3.2 | C[C@H](CNc1ccc(C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
10346448 | 119828 | 0 | None | -891 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
CHEMBL348501 | 119828 | 0 | None | -891 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
11647543 | 138234 | 0 | None | -2511 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
CHEMBL377028 | 138234 | 0 | None | -2511 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
145987168 | 167213 | 0 | None | -316 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 354 | 7 | 4 | 5 | 2.1 | COc1cccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2018.04.041 | ||
CHEMBL4291941 | 167213 | 0 | None | -316 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 354 | 7 | 4 | 5 | 2.1 | COc1cccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2018.04.041 | ||
42625897 | 12474 | 0 | None | -501 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
CHEMBL1186265 | 12474 | 0 | None | -501 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
CHEMBL456485 | 12474 | 0 | None | -501 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
42625821 | 12542 | 0 | None | -630 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1186678 | 12542 | 0 | None | -630 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL474393 | 12542 | 0 | None | -630 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
44237614 | 58232 | 0 | None | -31622 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 490 | 9 | 6 | 5 | 3.6 | O=C(NCc1ccc(F)cc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
CHEMBL1682216 | 58232 | 0 | None | -31622 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 490 | 9 | 6 | 5 | 3.6 | O=C(NCc1ccc(F)cc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
44331444 | 4268 | 0 | None | -524 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 709 | 13 | 5 | 8 | 4.2 | CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL100589 | 4268 | 0 | None | -524 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 709 | 13 | 5 | 8 | 4.2 | CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
24824226 | 97441 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 439 | 11 | 3 | 4 | 4.3 | O=C(O)COc1ccc(Cc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
CHEMBL270027 | 97441 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 439 | 11 | 3 | 4 | 4.3 | O=C(O)COc1ccc(Cc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
44579925 | 184323 | 0 | None | -6 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 9 | 3 | 4 | 5.4 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1Cl | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL484265 | 184323 | 0 | None | -6 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 9 | 3 | 4 | 5.4 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1Cl | 10.1016/j.bmcl.2008.08.009 | ||
45483849 | 197175 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 388 | 6 | 3 | 3 | 4.5 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(Cl)c(N)c(Cl)c1 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL568060 | 197175 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 388 | 6 | 3 | 3 | 4.5 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(Cl)c(N)c(Cl)c1 | 10.1016/j.bmcl.2009.10.013 | ||
24936488 | 17647 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1258373 | 17647 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
44574759 | 178566 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 470 | 12 | 3 | 6 | 3.6 | O=C(Cc1nccn1-c1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL467082 | 178566 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 470 | 12 | 3 | 6 | 3.6 | O=C(Cc1nccn1-c1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
24950570 | 175428 | 0 | None | -794 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1F | 10.1021/jm800222k | ||
CHEMBL457629 | 175428 | 0 | None | -794 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1F | 10.1021/jm800222k | ||
44396532 | 66754 | 0 | None | -42 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL185836 | 66754 | 0 | None | -42 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
44127478 | 195212 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 11 | 5 | 6 | 2.6 | NC(C(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL550743 | 195212 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 11 | 5 | 6 | 2.6 | NC(C(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
24950053 | 187985 | 0 | None | -117 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 443 | 7 | 3 | 5 | 5.1 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)s1 | 10.1021/jm800222k | ||
CHEMBL497280 | 187985 | 0 | None | -117 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 443 | 7 | 3 | 5 | 5.1 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)s1 | 10.1021/jm800222k | ||
24950236 | 189070 | 0 | None | -89 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 534 | 9 | 4 | 5 | 6.8 | O=C(O)c1cc(NC2CCCCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
CHEMBL509729 | 189070 | 0 | None | -89 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 534 | 9 | 4 | 5 | 6.8 | O=C(O)c1cc(NC2CCCCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
44579649 | 186965 | 0 | None | -12 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 408 | 10 | 3 | 6 | 3.4 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL490415 | 186965 | 0 | None | -12 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 408 | 10 | 3 | 6 | 3.4 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
11224275 | 173492 | 0 | None | -1621 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 433 | 11 | 3 | 4 | 5.1 | CCCOc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL453048 | 173492 | 0 | None | -1621 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 433 | 11 | 3 | 4 | 5.1 | CCCOc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
45483839 | 196931 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 380 | 7 | 3 | 3 | 4.8 | CCc1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL566353 | 196931 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 380 | 7 | 3 | 3 | 4.8 | CCc1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
45483852 | 196755 | 0 | None | -14 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 392 | 6 | 4 | 5 | 2.6 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL565267 | 196755 | 0 | None | -14 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 392 | 6 | 4 | 5 | 2.6 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
155564766 | 175487 | 0 | None | -181 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4577508 | 175487 | 0 | None | -181 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
12578 | 935 | 61 | None | 186 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
2755 | 935 | 61 | None | 186 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
CHEMBL1374751 | 935 | 61 | None | 186 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
164620479 | 188542 | 0 | None | -288 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4863847 | 188542 | 0 | None | -288 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028596 | 188542 | 0 | None | -288 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
145985242 | 165543 | 0 | None | -6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 443 | 11 | 4 | 4 | 3.9 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4241613 | 165543 | 0 | None | -6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 443 | 11 | 4 | 4 | 3.9 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
164617235 | 188517 | 0 | None | -251 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4848775 | 188517 | 0 | None | -251 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028422 | 188517 | 0 | None | -251 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
11810896 | 119480 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 375 | 9 | 4 | 4 | 3.1 | CC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm0101500 | ||
CHEMBL345304 | 119480 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 375 | 9 | 4 | 4 | 3.1 | CC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm0101500 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
9871386 | 112269 | 5 | None | -35 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3290999 | 112269 | 5 | None | -35 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
66796015 | 112458 | 0 | None | -35 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298328 | 112458 | 0 | None | -35 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
56943518 | 112459 | 0 | None | -25 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298329 | 112459 | 0 | None | -25 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
56943545 | 112460 | 0 | None | -28 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298330 | 112460 | 0 | None | -28 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
56943546 | 112476 | 0 | None | -25 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298691 | 112476 | 0 | None | -25 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
56943517 | 112502 | 0 | None | -3 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
CHEMBL3298832 | 112502 | 0 | None | -3 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
56678973 | 66577 | 0 | None | -7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1835855 | 66577 | 0 | None | -7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1852541 | 66577 | 0 | None | -7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
56658407 | 66636 | 0 | None | -15 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1835857 | 66636 | 0 | None | -15 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1852796 | 66636 | 0 | None | -15 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
10225563 | 14207 | 0 | None | -19 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL1084891 | 14207 | 0 | None | -19 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
CHEMBL1198889 | 14207 | 0 | None | -19 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
9871386 | 112269 | 5 | None | -35 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
CHEMBL3290999 | 112269 | 5 | None | -35 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
45271517 | 195049 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203998 | 195049 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL549487 | 195049 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
45272431 | 195107 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204002 | 195107 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL549960 | 195107 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
44517694 | 195169 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203996 | 195169 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL550445 | 195169 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
44517696 | 195769 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204007 | 195769 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL557705 | 195769 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
24949891 | 188166 | 0 | None | -46 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
CHEMBL498703 | 188166 | 0 | None | -46 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
24937269 | 17645 | 0 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1258371 | 17645 | 0 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
44127481 | 196150 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL561211 | 196150 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1 | 10.1016/j.ejmech.2009.01.022 | ||
11189433 | 200881 | 0 | None | -57 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL601430 | 200881 | 0 | None | -57 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
44396779 | 67059 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL187209 | 67059 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
155551133 | 173994 | 0 | None | -446 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 340 | 7 | 4 | 5 | 1.9 | O=c1ccc2c(C(O)CNCCOc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4542430 | 173994 | 0 | None | -446 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 340 | 7 | 4 | 5 | 1.9 | O=c1ccc2c(C(O)CNCCOc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
24823127 | 97941 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
CHEMBL272584 | 97941 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
24823127 | 97941 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL272584 | 97941 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
44127050 | 196671 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccccc1Cl)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL564544 | 196671 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccccc1Cl)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
24823127 | 97941 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL272584 | 97941 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
24823127 | 97941 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
CHEMBL272584 | 97941 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
44589400 | 194578 | 0 | None | -3 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 446 | 11 | 2 | 5 | 4.2 | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 | 10.1016/j.bmc.2008.11.030 | ||
CHEMBL530556 | 194578 | 0 | None | -3 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 446 | 11 | 2 | 5 | 4.2 | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 | 10.1016/j.bmc.2008.11.030 | ||
45271886 | 195313 | 0 | None | -724 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 508 | 11 | 3 | 5 | 4.5 | CC(C)Cc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
CHEMBL551532 | 195313 | 0 | None | -724 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 508 | 11 | 3 | 5 | 4.5 | CC(C)Cc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
42639806 | 12516 | 0 | None | -40 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 468 | 10 | 3 | 6 | 2.9 | COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL1186584 | 12516 | 0 | None | -40 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 468 | 10 | 3 | 6 | 2.9 | COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL470858 | 12516 | 0 | None | -40 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 468 | 10 | 3 | 6 | 2.9 | COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
44331346 | 208387 | 0 | None | -120 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL99599 | 208387 | 0 | None | -120 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
44560791 | 189094 | 0 | None | -154 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 8 | 3 | 4 | 3.7 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
CHEMBL510102 | 189094 | 0 | None | -154 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 8 | 3 | 4 | 3.7 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
42639808 | 12523 | 0 | None | -1230 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 522 | 11 | 3 | 6 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCC1 | 10.1021/jm9000709 | ||
CHEMBL1186601 | 12523 | 0 | None | -1230 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 522 | 11 | 3 | 6 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCC1 | 10.1021/jm9000709 | ||
CHEMBL472090 | 12523 | 0 | None | -1230 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 522 | 11 | 3 | 6 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCC1 | 10.1021/jm9000709 | ||
10302915 | 5346 | 0 | None | -23 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1c(F)cccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL106884 | 5346 | 0 | None | -23 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1c(F)cccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
44127681 | 195214 | 0 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 420 | 11 | 4 | 5 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL550746 | 195214 | 0 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 420 | 11 | 4 | 5 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
164623544 | 188572 | 0 | None | -2754 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 406 | 7 | 4 | 4 | 3.5 | O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL4872653 | 188572 | 0 | None | -2754 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 406 | 7 | 4 | 4 | 3.5 | O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
CHEMBL5028764 | 188572 | 0 | None | -2754 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 406 | 7 | 4 | 4 | 3.5 | O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
24949722 | 175529 | 0 | None | -223 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 455 | 6 | 3 | 3 | 5.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC3)cc1 | 10.1021/jm800222k | ||
CHEMBL457839 | 175529 | 0 | None | -223 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 455 | 6 | 3 | 3 | 5.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC3)cc1 | 10.1021/jm800222k | ||
11476004 | 173491 | 0 | None | -954 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL453047 | 173491 | 0 | None | -954 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
45269853 | 196566 | 0 | None | -4 | 2 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL563872 | 196566 | 0 | None | -4 | 2 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
9799092 | 47304 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
CHEMBL154419 | 47304 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
9799092 | 47304 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
CHEMBL154419 | 47304 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
56678847 | 66375 | 0 | None | -125 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814274 | 66375 | 0 | None | -125 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1851691 | 66375 | 0 | None | -125 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
56678845 | 66404 | 0 | None | -39 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814269 | 66404 | 0 | None | -39 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1851839 | 66404 | 0 | None | -39 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
9871096 | 66648 | 0 | None | -125 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1814268 | 66648 | 0 | None | -125 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1852860 | 66648 | 0 | None | -125 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
9799092 | 47304 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL154419 | 47304 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
44441229 | 93747 | 0 | None | -100 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2nc(C(=O)O)cs2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
CHEMBL247315 | 93747 | 0 | None | -100 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2nc(C(=O)O)cs2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
46833103 | 7411 | 0 | None | -10 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(O)cc2)ccc1O | 10.1021/jm100326d | ||
CHEMBL1086535 | 7411 | 0 | None | -10 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(O)cc2)ccc1O | 10.1021/jm100326d | ||
11060184 | 119728 | 0 | None | -1000 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 501 | 11 | 4 | 6 | 3.5 | C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
CHEMBL347616 | 119728 | 0 | None | -1000 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 501 | 11 | 4 | 6 | 3.5 | C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
9823696 | 75773 | 0 | None | -501 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.7 | Cc1ccc(C(=O)O)cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
CHEMBL204827 | 75773 | 0 | None | -501 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.7 | Cc1ccc(C(=O)O)cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
11495581 | 77320 | 0 | None | -25 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 425 | 9 | 4 | 5 | 4.2 | C[C@H](CNc1cccc(-c2ncccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
CHEMBL208328 | 77320 | 0 | None | -25 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 425 | 9 | 4 | 5 | 4.2 | C[C@H](CNc1cccc(-c2ncccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
11546349 | 141331 | 0 | None | -25 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
CHEMBL383511 | 141331 | 0 | None | -25 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
2419 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
5152 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
559 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
CHEMBL1263 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
DB00938 | 3461 | 84 | None | -1174 | 14 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
10940242 | 165196 | 0 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 515 | 12 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
CHEMBL422876 | 165196 | 0 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 515 | 12 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
42625743 | 12599 | 0 | None | -39 | 3 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL1186943 | 12599 | 0 | None | -39 | 3 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
CHEMBL483407 | 12599 | 0 | None | -39 | 3 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
559929 | 4898 | 11 | None | 4 | 2 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F | 10.1021/jm00107a027 | ||
CHEMBL10453 | 4898 | 11 | None | 4 | 2 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F | 10.1021/jm00107a027 | ||
44419332 | 141758 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 11 | 4 | 8 | 2.5 | Cn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
CHEMBL386016 | 141758 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 11 | 4 | 8 | 2.5 | Cn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
46889771 | 6992 | 0 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
CHEMBL1084706 | 6992 | 0 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
45268136 | 196383 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203989 | 196383 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL562669 | 196383 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
44560792 | 173386 | 0 | None | -794 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 434 | 10 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL452798 | 173386 | 0 | None | -794 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 434 | 10 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
24950718 | 175996 | 0 | None | -398 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(C(=O)O)ccc1-c1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)CC2 | 10.1021/jm800222k | ||
CHEMBL458927 | 175996 | 0 | None | -398 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(C(=O)O)ccc1-c1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)CC2 | 10.1021/jm800222k | ||
11272641 | 12441 | 0 | None | -6165 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL1186009 | 12441 | 0 | None | -6165 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL445481 | 12441 | 0 | None | -6165 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
25071020 | 193183 | 0 | None | -251 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.5 | CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL523265 | 193183 | 0 | None | -251 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.5 | CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
24949726 | 189538 | 0 | None | -457 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
CHEMBL514265 | 189538 | 0 | None | -457 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
44127479 | 196177 | 0 | None | 10 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1cccc(Cl)c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL561348 | 196177 | 0 | None | 10 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1cccc(Cl)c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
24895359 | 192492 | 0 | None | -104 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 405 | 9 | 3 | 4 | 4.3 | COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL520903 | 192492 | 0 | None | -104 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 405 | 9 | 3 | 4 | 4.3 | COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
145989075 | 167090 | 0 | None | -524 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 324 | 6 | 4 | 4 | 2.1 | O=c1ccc2c(C(CO)NCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
CHEMBL4289813 | 167090 | 0 | None | -524 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 324 | 6 | 4 | 4 | 2.1 | O=c1ccc2c(C(CO)NCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
145994130 | 167379 | 0 | None | -83 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(CO)NCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
CHEMBL4294937 | 167379 | 0 | None | -83 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(CO)NCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
24894315 | 172971 | 0 | None | -165 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.2 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL451772 | 172971 | 0 | None | -165 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.2 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
44580042 | 193097 | 0 | None | -26 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 396 | 9 | 3 | 5 | 3.6 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
CHEMBL522641 | 193097 | 0 | None | -26 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 396 | 9 | 3 | 5 | 3.6 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
42639491 | 12569 | 0 | None | -1659 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 552 | 11 | 3 | 6 | 5.3 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1SC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL1186805 | 12569 | 0 | None | -1659 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 552 | 11 | 3 | 6 | 5.3 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1SC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL479342 | 12569 | 0 | None | -1659 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 552 | 11 | 3 | 6 | 5.3 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1SC1CCCCC1 | 10.1021/jm9000709 | ||
44396738 | 123882 | 0 | None | -77 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 655 | 13 | 5 | 9 | 4.8 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccc(C(=O)O)cc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
CHEMBL362763 | 123882 | 0 | None | -77 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 655 | 13 | 5 | 9 | 4.8 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccc(C(=O)O)cc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
10142284 | 4887 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 11 | 5 | 6 | 3.9 | O=C(NC1CCCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL104481 | 4887 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 11 | 5 | 6 | 3.9 | O=C(NC1CCCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
1239 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
3410 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
3465 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
CHEMBL1256786 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
DB00983 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
1239 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
3410 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
3465 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL1256786 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
DB00983 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
1239 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
3410 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
3465 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL1256786 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
DB00983 | 1675 | 55 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
24895361 | 185372 | 0 | None | -933 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
CHEMBL486051 | 185372 | 0 | None | -933 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
155550964 | 173948 | 0 | None | -575 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 8 | 4 | 4 | 2.9 | O=c1ccc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4541263 | 173948 | 0 | None | -575 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 8 | 4 | 4 | 2.9 | O=c1ccc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
10232593 | 5395 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 609 | 17 | 6 | 7 | 4.8 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL107129 | 5395 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 609 | 17 | 6 | 7 | 4.8 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
9873245 | 4514 | 0 | None | -38 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL102194 | 4514 | 0 | None | -38 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
10028830 | 2244 | 40 | None | -323 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
3932 | 2244 | 40 | None | -323 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
CHEMBL4238084 | 2244 | 40 | None | -323 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
44237666 | 58234 | 0 | None | -44668 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 548 | 10 | 6 | 5 | 5.0 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
CHEMBL1682218 | 58234 | 0 | None | -44668 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 548 | 10 | 6 | 5 | 5.0 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
24950059 | 174868 | 0 | None | -169 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 467 | 8 | 3 | 5 | 5.0 | COc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
CHEMBL456352 | 174868 | 0 | None | -169 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 467 | 8 | 3 | 5 | 5.0 | COc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
24823466 | 12829 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 440 | 11 | 4 | 5 | 4.4 | O=C(O)COc1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
CHEMBL1188436 | 12829 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 440 | 11 | 4 | 5 | 4.4 | O=C(O)COc1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
CHEMBL536330 | 12829 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 440 | 11 | 4 | 5 | 4.4 | O=C(O)COc1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
11270069 | 95699 | 0 | None | 6 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
CHEMBL25823 | 95699 | 0 | None | 6 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
52949488 | 17544 | 0 | None | -3 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
CHEMBL1258023 | 17544 | 0 | None | -3 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
155548071 | 173747 | 0 | None | -131 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(O)CNCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
CHEMBL4536813 | 173747 | 0 | None | -131 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(O)CNCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
56598831 | 89141 | 0 | None | 1023 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
CHEMBL2348220 | 89141 | 0 | None | 1023 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
CHEMBL2365796 | 89141 | 0 | None | 1023 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
45101522 | 199015 | 0 | None | -5 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 15 | 7 | 9 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCNCCCS(=O)(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
CHEMBL585751 | 199015 | 0 | None | -5 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 15 | 7 | 9 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCNCCCS(=O)(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
45272430 | 195442 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1204001 | 195442 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL552374 | 195442 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
44517692 | 196667 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL1203990 | 196667 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
CHEMBL564516 | 196667 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
44237612 | 58227 | 0 | None | -4466 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 472 | 9 | 6 | 5 | 3.4 | O=C(NCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
CHEMBL1682211 | 58227 | 0 | None | -4466 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 472 | 9 | 6 | 5 | 3.4 | O=C(NCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
11398536 | 12473 | 0 | None | -6309 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 535 | 11 | 4 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL1186241 | 12473 | 0 | None | -6309 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 535 | 11 | 4 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
CHEMBL455773 | 12473 | 0 | None | -6309 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 535 | 11 | 4 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
24895565 | 176693 | 0 | None | -575 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 475 | 11 | 3 | 5 | 5.5 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
CHEMBL459862 | 176693 | 0 | None | -575 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 475 | 11 | 3 | 5 | 5.5 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
44127167 | 196254 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1cccnc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL561818 | 196254 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1cccnc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
24949720 | 189520 | 0 | None | -2398 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1 | 10.1021/jm800222k | ||
CHEMBL514102 | 189520 | 0 | None | -2398 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1 | 10.1021/jm800222k | ||
44565907 | 193168 | 0 | None | -138 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 498 | 11 | 4 | 8 | 2.3 | CCOc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
CHEMBL523149 | 193168 | 0 | None | -138 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 498 | 11 | 4 | 8 | 2.3 | CCOc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
10205463 | 5500 | 0 | None | -10 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 470 | 11 | 5 | 6 | 3.0 | CC(C)NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
CHEMBL107633 | 5500 | 0 | None | -10 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 470 | 11 | 5 | 6 | 3.0 | CC(C)NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
44127052 | 195734 | 0 | None | -2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccccc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
CHEMBL557269 | 195734 | 0 | None | -2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccccc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
44574758 | 178541 | 0 | None | -18 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 394 | 11 | 4 | 5 | 2.2 | O=C(Cc1ncc[nH]1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
CHEMBL466879 | 178541 | 0 | None | -18 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 394 | 11 | 4 | 5 | 2.2 | O=C(Cc1ncc[nH]1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
9896817 | 102883 | 0 | None | -22 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL305891 | 102883 | 0 | None | -22 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
24823296 | 98030 | 0 | None | -2884 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm701324c | ||
CHEMBL273006 | 98030 | 0 | None | -2884 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm701324c | ||
24949883 | 176093 | 0 | None | -691 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c(F)c1 | 10.1021/jm800222k | ||
CHEMBL459133 | 176093 | 0 | None | -691 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c(F)c1 | 10.1021/jm800222k | ||
24823296 | 98030 | 0 | None | -2884 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
CHEMBL273006 | 98030 | 0 | None | -2884 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
10648298 | 99717 | 0 | None | -251 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 477 | 10 | 5 | 7 | 2.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
CHEMBL284788 | 99717 | 0 | None | -251 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 477 | 10 | 5 | 7 | 2.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
46232815 | 201679 | 0 | None | 5 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
CHEMBL606208 | 201679 | 0 | None | 5 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
9896817 | 102883 | 0 | None | -22 | 3 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL305891 | 102883 | 0 | None | -22 | 3 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
9962058 | 204780 | 0 | None | -165 | 3 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL74860 | 204780 | 0 | None | -165 | 3 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
53318280 | 58653 | 0 | None | -95 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 7.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
CHEMBL1684578 | 58653 | 0 | None | -95 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 7.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
11722516 | 90889 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 303 | 9 | 2 | 4 | 2.2 | COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1 | 10.1016/S0960-894X(97)00207-2 | ||
CHEMBL23929 | 90889 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 303 | 9 | 2 | 4 | 2.2 | COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1 | 10.1016/S0960-894X(97)00207-2 | ||
44268214 | 18567 | 0 | None | 4 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 331 | 10 | 3 | 5 | 2.4 | COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
CHEMBL12762 | 18567 | 0 | None | 4 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 331 | 10 | 3 | 5 | 2.4 | COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
53319639 | 58656 | 0 | None | -1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
CHEMBL1684582 | 58656 | 0 | None | -1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
145990586 | 166841 | 0 | None | -1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
CHEMBL4285281 | 166841 | 0 | None | -1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
53326196 | 58654 | 0 | None | 1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
CHEMBL1684580 | 58654 | 0 | None | 1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
567 | 724 | 16 | None | -186 | 7 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
9841972 | 724 | 16 | None | -186 | 7 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
CHEMBL284782 | 724 | 16 | None | -186 | 7 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
1786 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
4171 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
553 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
CHEMBL13 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
DB00264 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
127034967 | 136486 | 0 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2c(cccc2OCC(O)CN(C)C)N1 | 10.1021/acs.jmedchem.5b01088 | ||
CHEMBL3736156 | 136486 | 0 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2c(cccc2OCC(O)CN(C)C)N1 | 10.1021/acs.jmedchem.5b01088 | ||
53326839 | 58655 | 0 | None | -26 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
CHEMBL1684581 | 58655 | 0 | None | -26 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
11722516 | 90889 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 303 | 9 | 2 | 4 | 2.2 | COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1 | 10.1016/S0960-894X(97)00207-2 | ||
CHEMBL23929 | 90889 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 303 | 9 | 2 | 4 | 2.2 | COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1 | 10.1016/S0960-894X(97)00207-2 | ||
51346867 | 58657 | 0 | None | -537 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
CHEMBL1684583 | 58657 | 0 | None | -537 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
53326197 | 58658 | 0 | None | -28 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
CHEMBL1684584 | 58658 | 0 | None | -28 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
2303 | 3185 | 68 | None | -6 | 20 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
4946 | 3185 | 68 | None | -6 | 20 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
564 | 3185 | 68 | None | -6 | 20 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
63 | 3185 | 68 | None | -6 | 20 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
91536 | 3185 | 68 | None | -6 | 20 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
CHEMBL27 | 3185 | 68 | None | -6 | 20 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
CHEMBL452861 | 3185 | 68 | None | -6 | 20 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
DB00571 | 3185 | 68 | None | -6 | 20 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
9873245 | 4514 | 0 | None | -38 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL102194 | 4514 | 0 | None | -38 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
14739907 | 164131 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 367 | 10 | 2 | 6 | 2.6 | Cc1cccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)c1 | 10.1021/jm00172a033 | ||
CHEMBL421005 | 164131 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 367 | 10 | 2 | 6 | 2.6 | Cc1cccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)c1 | 10.1021/jm00172a033 | ||
14739906 | 207685 | 0 | None | 16 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 411 | 13 | 2 | 7 | 2.5 | COCCc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
CHEMBL95457 | 207685 | 0 | None | 16 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 411 | 13 | 2 | 7 | 2.5 | COCCc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
53326195 | 58652 | 0 | None | -194 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
CHEMBL1684577 | 58652 | 0 | None | -194 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
9853471 | 204852 | 0 | None | -389 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL75604 | 204852 | 0 | None | -389 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
146015362 | 946 | 10 | None | -53703 | 5 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
3462 | 946 | 10 | None | -53703 | 5 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
5486546 | 946 | 10 | None | -53703 | 5 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
CHEMBL1204876 | 946 | 10 | None | -53703 | 5 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
1786 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
4171 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
553 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
CHEMBL13 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
DB00264 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
3687256 | 6832 | 7 | None | 3 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | ||
CHEMBL1083994 | 6832 | 7 | None | 3 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | ||
14739905 | 208283 | 0 | None | 7 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 353 | 10 | 2 | 6 | 2.3 | OC(CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1 | 10.1021/jm00172a033 | ||
CHEMBL98975 | 208283 | 0 | None | 7 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 353 | 10 | 2 | 6 | 2.3 | OC(CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1 | 10.1021/jm00172a033 | ||
1499 | 2089 | 47 | None | -269 | 38 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
3779 | 2089 | 47 | None | -269 | 38 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
536 | 2089 | 47 | None | -269 | 38 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
CHEMBL434 | 2089 | 47 | None | -269 | 38 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
DB01064 | 2089 | 47 | None | -269 | 38 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
14823035 | 141561 | 2 | None | -10 | 4 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | ||
CHEMBL38486 | 141561 | 2 | None | -10 | 4 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | ||
14739908 | 107244 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 416 | 10 | 3 | 7 | 1.9 | CS(=O)(=O)Nc1ccc(C(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
CHEMBL316868 | 107244 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 416 | 10 | 3 | 7 | 1.9 | CS(=O)(=O)Nc1ccc(C(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
44313150 | 103775 | 0 | None | -6 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL308868 | 103775 | 0 | None | -6 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
65772 | 60401 | 8 | None | -5 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
CHEMBL174984 | 60401 | 8 | None | -5 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
10283539 | 167863 | 0 | None | -1479 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
CHEMBL431048 | 167863 | 0 | None | -1479 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
127034966 | 136525 | 0 | None | -1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2cccc(OCC(O)CN(C)C)c2N1 | 10.1021/acs.jmedchem.5b01088 | ||
CHEMBL3736433 | 136525 | 0 | None | -1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2cccc(OCC(O)CN(C)C)c2N1 | 10.1021/acs.jmedchem.5b01088 | ||
187238 | 78118 | 10 | None | - | 0 | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
CHEMBL210309 | 78118 | 10 | None | - | 0 | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
187238 | 78118 | 10 | None | - | 0 | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
CHEMBL210309 | 78118 | 10 | None | - | 0 | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
187238 | 78118 | 10 | None | - | 0 | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
CHEMBL210309 | 78118 | 10 | None | - | 0 | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
187238 | 78118 | 10 | None | - | 0 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
CHEMBL210309 | 78118 | 10 | None | - | 0 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
13040915 | 102930 | 0 | None | - | 0 | Guinea pig | 10.0 | pKd | = | 10 | Functional | ChEMBL | 325 | 10 | 2 | 7 | 0.8 | CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
CHEMBL30622 | 102930 | 0 | None | - | 0 | Guinea pig | 10.0 | pKd | = | 10 | Functional | ChEMBL | 325 | 10 | 2 | 7 | 0.8 | CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
3047497 | 13397 | 10 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1192675 | 13397 | 10 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL543955 | 13397 | 10 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
3047497 | 13397 | 10 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1192675 | 13397 | 10 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL543955 | 13397 | 10 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
187238 | 78118 | 10 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
CHEMBL210309 | 78118 | 10 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
2685 | 889 | 21 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
541 | 889 | 21 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
CHEMBL280822 | 889 | 21 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
123686 | 1979 | 51 | None | 74 | 3 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
12581 | 1979 | 51 | None | 74 | 3 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
CHEMBL11268 | 1979 | 51 | None | 74 | 3 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
33624 | 3819 | 34 | None | - | 6 | Guinea pig | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
4061 | 3819 | 34 | None | - | 6 | Guinea pig | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
565 | 3819 | 34 | None | - | 6 | Guinea pig | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
CHEMBL499 | 3819 | 34 | None | - | 6 | Guinea pig | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
DB00373 | 3819 | 34 | None | - | 6 | Guinea pig | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
13187527 | 97089 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 321 | 10 | 2 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL267375 | 97089 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 321 | 10 | 2 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL542536 | 97089 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 321 | 10 | 2 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
56598832 | 88266 | 0 | None | 4365 | 3 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
CHEMBL2348218 | 88266 | 0 | None | 4365 | 3 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
66653268 | 88249 | 0 | None | 3311 | 3 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
CHEMBL2348201 | 88249 | 0 | None | 3311 | 3 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
5311116 | 2332 | 9 | None | 4365 | 3 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
544 | 2332 | 9 | None | 4365 | 3 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
CHEMBL207802 | 2332 | 9 | None | 4365 | 3 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
2303 | 3185 | 68 | None | -6 | 20 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
4946 | 3185 | 68 | None | -6 | 20 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
564 | 3185 | 68 | None | -6 | 20 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
63 | 3185 | 68 | None | -6 | 20 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
91536 | 3185 | 68 | None | -6 | 20 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
CHEMBL27 | 3185 | 68 | None | -6 | 20 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
CHEMBL452861 | 3185 | 68 | None | -6 | 20 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
DB00571 | 3185 | 68 | None | -6 | 20 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
12733305 | 60385 | 0 | None | - | 0 | Guinea pig | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 357 | 8 | 2 | 6 | 2.5 | COc1ccc(CCNCC(O)C2=COc3ccccc3O2)cc1OC | 10.1021/jm00140a015 | ||
CHEMBL174853 | 60385 | 0 | None | - | 0 | Guinea pig | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 357 | 8 | 2 | 6 | 2.5 | COc1ccc(CCNCC(O)C2=COc3ccccc3O2)cc1OC | 10.1021/jm00140a015 | ||
13187527 | 97089 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 321 | 10 | 2 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL267375 | 97089 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 321 | 10 | 2 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL542536 | 97089 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 321 | 10 | 2 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
44288749 | 164268 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 330 | 8 | 2 | 4 | 4.0 | CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
CHEMBL42117 | 164268 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 330 | 8 | 2 | 4 | 4.0 | CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
44288749 | 164268 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 330 | 8 | 2 | 4 | 4.0 | CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
CHEMBL42117 | 164268 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 330 | 8 | 2 | 4 | 4.0 | CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
11722868 | 104377 | 0 | None | - | 0 | Guinea pig | 7.0 | pKd | = | 7 | Functional | ChEMBL | 309 | 8 | 2 | 5 | 1.9 | COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | ||
CHEMBL31025 | 104377 | 0 | None | - | 0 | Guinea pig | 7.0 | pKd | = | 7 | Functional | ChEMBL | 309 | 8 | 2 | 5 | 1.9 | COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | ||
13040919 | 106065 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 339 | 9 | 2 | 7 | 1.1 | CCOC(=O)C(C)(C)NCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
CHEMBL31335 | 106065 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 339 | 9 | 2 | 7 | 1.1 | CCOC(=O)C(C)(C)NCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
44371562 | 49716 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | 257 | 7 | 2 | 5 | 1.2 | CC(C)NCC(O)COC(=O)Cc1cccs1 | 10.1021/jm00387a006 | ||
CHEMBL156683 | 49716 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | 257 | 7 | 2 | 5 | 1.2 | CC(C)NCC(O)COC(=O)Cc1cccs1 | 10.1021/jm00387a006 | ||
20554487 | 13297 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 369 | 11 | 2 | 5 | 2.2 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1191855 | 13297 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 369 | 11 | 2 | 5 | 2.2 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL543011 | 13297 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 369 | 11 | 2 | 5 | 2.2 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCC2)cc1 | 10.1021/jm00389a008 | ||
54757126 | 65491 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830492 | 65491 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
14856222 | 172647 | 0 | None | - | 0 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 217 | 5 | 2 | 4 | 0.9 | CC(C)C(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
CHEMBL449651 | 172647 | 0 | None | - | 0 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 217 | 5 | 2 | 4 | 0.9 | CC(C)C(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
12733304 | 128235 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 275 | 3 | 1 | 4 | 2.5 | OC(CN1CCCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
CHEMBL366558 | 128235 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 275 | 3 | 1 | 4 | 2.5 | OC(CN1CCCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
44288217 | 155151 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 288 | 8 | 2 | 4 | 3.0 | Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
CHEMBL40217 | 155151 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 288 | 8 | 2 | 4 | 3.0 | Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
2303 | 3185 | 68 | None | -22 | 20 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
4946 | 3185 | 68 | None | -22 | 20 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
564 | 3185 | 68 | None | -22 | 20 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
63 | 3185 | 68 | None | -22 | 20 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
91536 | 3185 | 68 | None | -22 | 20 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL27 | 3185 | 68 | None | -22 | 20 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL452861 | 3185 | 68 | None | -22 | 20 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
DB00571 | 3185 | 68 | None | -22 | 20 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
44371486 | 14244 | 0 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1161387 | 14244 | 0 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1199437 | 14244 | 0 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
54757229 | 65513 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
CHEMBL1830617 | 65513 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
44371537 | 50667 | 0 | None | - | 0 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 243 | 6 | 2 | 4 | 1.5 | CC(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
CHEMBL157557 | 50667 | 0 | None | - | 0 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 243 | 6 | 2 | 4 | 1.5 | CC(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
12348305 | 96994 | 0 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 281 | 6 | 2 | 6 | 0.9 | CC(C)NCC(O)COC(=O)c1ccc2c(c1)OCO2 | 10.1021/jm00387a006 | ||
CHEMBL266548 | 96994 | 0 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 281 | 6 | 2 | 6 | 0.9 | CC(C)NCC(O)COC(=O)c1ccc2c(c1)OCO2 | 10.1021/jm00387a006 | ||
2369 | 621 | 80 | None | - | 2 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
356 | 621 | 80 | None | - | 2 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
549 | 621 | 80 | None | - | 2 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL423 | 621 | 80 | None | - | 2 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
DB00195 | 621 | 80 | None | - | 2 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
12606708 | 13078 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 282 | 6 | 2 | 4 | 2.6 | CC(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
CHEMBL1190195 | 13078 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 282 | 6 | 2 | 4 | 2.6 | CC(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
CHEMBL540337 | 13078 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 282 | 6 | 2 | 4 | 2.6 | CC(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
44287476 | 12010 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC(CC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
CHEMBL1183311 | 12010 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC(CC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
CHEMBL289858 | 12010 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC(CC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
3047527 | 203620 | 1 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 335 | 11 | 2 | 4 | 3.2 | CC(C)NCC(O)COc1ccc(CCOCC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL6712 | 203620 | 1 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 335 | 11 | 2 | 4 | 3.2 | CC(C)NCC(O)COc1ccc(CCOCC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
2447486 | 63058 | 1 | None | - | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
CHEMBL1788270 | 63058 | 1 | None | - | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
54756927 | 65485 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830486 | 65485 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
44288217 | 155151 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 288 | 8 | 2 | 4 | 3.0 | Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
CHEMBL40217 | 155151 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 288 | 8 | 2 | 4 | 3.0 | Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
12606686 | 92857 | 3 | None | - | 0 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1161385 | 92857 | 3 | None | - | 0 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL24391 | 92857 | 3 | None | - | 0 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
1786 | 2518 | 85 | None | -4 | 7 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
4171 | 2518 | 85 | None | -4 | 7 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
553 | 2518 | 85 | None | -4 | 7 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
CHEMBL13 | 2518 | 85 | None | -4 | 7 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
DB00264 | 2518 | 85 | None | -4 | 7 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
12733308 | 122549 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 393 | 4 | 2 | 7 | 3.1 | Oc1nc2ccccc2n1C1CCN(CC(O)C2=COc3ccccc3O2)CC1 | 10.1021/jm00140a015 | ||
CHEMBL360139 | 122549 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 393 | 4 | 2 | 7 | 3.1 | Oc1nc2ccccc2n1C1CCN(CC(O)C2=COc3ccccc3O2)CC1 | 10.1021/jm00140a015 | ||
3047500 | 13275 | 1 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1191645 | 13275 | 1 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL542776 | 13275 | 1 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
3047500 | 13275 | 1 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1191645 | 13275 | 1 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL542776 | 13275 | 1 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
44287622 | 11999 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 258 | 7 | 2 | 4 | 2.4 | CC(C)C(=NOCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00380a001 | ||
CHEMBL1183276 | 11999 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 258 | 7 | 2 | 4 | 2.4 | CC(C)C(=NOCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00380a001 | ||
CHEMBL288140 | 11999 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 258 | 7 | 2 | 4 | 2.4 | CC(C)C(=NOCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00380a001 | ||
10403687 | 2509 | 3 | None | - | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
1205 | 2509 | 3 | None | - | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
CHEMBL275035 | 2509 | 3 | None | - | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
12733301 | 60408 | 1 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 1.7 | CC(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
CHEMBL175010 | 60408 | 1 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 1.7 | CC(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
44371406 | 11662 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 278 | 9 | 2 | 4 | 2.4 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL1181107 | 11662 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 278 | 9 | 2 | 4 | 2.4 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL155714 | 11662 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 278 | 9 | 2 | 4 | 2.4 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
44264144 | 13276 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 385 | 11 | 2 | 6 | 1.6 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCO2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1191646 | 13276 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 385 | 11 | 2 | 6 | 1.6 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCO2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL542777 | 13276 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 385 | 11 | 2 | 6 | 1.6 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCO2)cc1 | 10.1021/jm00389a008 | ||
361497 | 49078 | 2 | None | - | 0 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 243 | 6 | 2 | 5 | 1.3 | CC(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
CHEMBL156147 | 49078 | 2 | None | - | 0 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 243 | 6 | 2 | 5 | 1.3 | CC(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
12778441 | 78364 | 0 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
CHEMBL2110257 | 78364 | 0 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
3486 | 3155 | 56 | None | - | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
4883 | 3155 | 56 | None | - | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
555 | 3155 | 56 | None | - | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
CHEMBL6995 | 3155 | 56 | None | - | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
DB01297 | 3155 | 56 | None | - | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
3486 | 3155 | 56 | None | - | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
4883 | 3155 | 56 | None | - | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
555 | 3155 | 56 | None | - | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
CHEMBL6995 | 3155 | 56 | None | - | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
DB01297 | 3155 | 56 | None | - | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
12606710 | 13394 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 204 | 6 | 3 | 4 | 0.7 | CC(C)NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1192661 | 13394 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 204 | 6 | 3 | 4 | 0.7 | CC(C)NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL543940 | 13394 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 204 | 6 | 3 | 4 | 0.7 | CC(C)NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
44287431 | 11226 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 244 | 8 | 2 | 4 | 2.0 | CC(C)NCC(O)CON=C(C(C)C)C(C)C | 10.1021/jm00380a001 | ||
CHEMBL1178793 | 11226 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 244 | 8 | 2 | 4 | 2.0 | CC(C)NCC(O)CON=C(C(C)C)C(C)C | 10.1021/jm00380a001 | ||
CHEMBL41839 | 11226 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 244 | 8 | 2 | 4 | 2.0 | CC(C)NCC(O)CON=C(C(C)C)C(C)C | 10.1021/jm00380a001 | ||
54757331 | 65515 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
CHEMBL1830619 | 65515 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
155774 | 4094 | 40 | None | 42 | 3 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
2848 | 4094 | 40 | None | 42 | 3 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
538 | 4094 | 40 | None | 42 | 3 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
CHEMBL75753 | 4094 | 40 | None | 42 | 3 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
DB13781 | 4094 | 40 | None | 42 | 3 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
56598831 | 89141 | 0 | None | 1023 | 3 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
CHEMBL2348220 | 89141 | 0 | None | 1023 | 3 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
CHEMBL2365796 | 89141 | 0 | None | 1023 | 3 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
44264411 | 13398 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 443 | 15 | 2 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(CCOCC3CCC3)cc2)cc1OC | 10.1021/jm00389a008 | ||
CHEMBL1192677 | 13398 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 443 | 15 | 2 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(CCOCC3CCC3)cc2)cc1OC | 10.1021/jm00389a008 | ||
CHEMBL543957 | 13398 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 443 | 15 | 2 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(CCOCC3CCC3)cc2)cc1OC | 10.1021/jm00389a008 | ||
3486 | 3155 | 56 | None | - | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00140a015 | ||
4883 | 3155 | 56 | None | - | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00140a015 | ||
555 | 3155 | 56 | None | - | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00140a015 | ||
CHEMBL6995 | 3155 | 56 | None | - | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00140a015 | ||
DB01297 | 3155 | 56 | None | - | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00140a015 | ||
137 | 370 | 52 | None | -3 | 8 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
2119 | 370 | 52 | None | -3 | 8 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
563 | 370 | 52 | None | -3 | 8 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
66368 | 370 | 52 | None | -3 | 8 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
CHEMBL266195 | 370 | 52 | None | -3 | 8 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
DB00866 | 370 | 52 | None | -3 | 8 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
54756927 | 65485 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830486 | 65485 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
12606701 | 11225 | 0 | None | - | 0 | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
CHEMBL1178787 | 11225 | 0 | None | - | 0 | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
CHEMBL41378 | 11225 | 0 | None | - | 0 | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
44371426 | 14305 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 216 | 6 | 2 | 4 | 1.5 | CC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1161384 | 14305 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 216 | 6 | 2 | 4 | 1.5 | CC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1199902 | 14305 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 216 | 6 | 2 | 4 | 1.5 | CC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
2303 | 3185 | 68 | None | -6 | 20 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
4946 | 3185 | 68 | None | -6 | 20 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
564 | 3185 | 68 | None | -6 | 20 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
63 | 3185 | 68 | None | -6 | 20 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
91536 | 3185 | 68 | None | -6 | 20 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
CHEMBL27 | 3185 | 68 | None | -6 | 20 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
CHEMBL452861 | 3185 | 68 | None | -6 | 20 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
DB00571 | 3185 | 68 | None | -6 | 20 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
11768868 | 13159 | 4 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.4 | COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1190805 | 13159 | 4 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.4 | COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL541607 | 13159 | 4 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.4 | COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
12606701 | 11225 | 0 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
CHEMBL1178787 | 11225 | 0 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
CHEMBL41378 | 11225 | 0 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
2303 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
4946 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
564 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
63 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
91536 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL27 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL452861 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
DB00571 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
2176 | 3125 | 68 | None | -1 | 8 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
4828 | 3125 | 68 | None | -1 | 8 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
91 | 3125 | 68 | None | -1 | 8 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
CHEMBL500 | 3125 | 68 | None | -1 | 8 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
DB00960 | 3125 | 68 | None | -1 | 8 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
2303 | 3185 | 68 | None | - | 20 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
4946 | 3185 | 68 | None | - | 20 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
564 | 3185 | 68 | None | - | 20 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
63 | 3185 | 68 | None | - | 20 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
91536 | 3185 | 68 | None | - | 20 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
CHEMBL27 | 3185 | 68 | None | - | 20 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
CHEMBL452861 | 3185 | 68 | None | - | 20 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
DB00571 | 3185 | 68 | None | - | 20 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
56597179 | 88267 | 0 | None | 2754 | 3 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
CHEMBL2348219 | 88267 | 0 | None | 2754 | 3 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
2369 | 621 | 80 | None | - | 2 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
356 | 621 | 80 | None | - | 2 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
549 | 621 | 80 | None | - | 2 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL423 | 621 | 80 | None | - | 2 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
DB00195 | 621 | 80 | None | - | 2 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
44264404 | 13422 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 319 | 11 | 2 | 4 | 2.5 | OC(CNC1CC1)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1192875 | 13422 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 319 | 11 | 2 | 4 | 2.5 | OC(CNC1CC1)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL544190 | 13422 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 319 | 11 | 2 | 4 | 2.5 | OC(CNC1CC1)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
2369 | 621 | 80 | None | - | 2 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
356 | 621 | 80 | None | - | 2 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
549 | 621 | 80 | None | - | 2 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL423 | 621 | 80 | None | - | 2 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
DB00195 | 621 | 80 | None | - | 2 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
44287522 | 11222 | 0 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 244 | 10 | 2 | 4 | 2.3 | CCCC(CCC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
CHEMBL1178778 | 11222 | 0 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 244 | 10 | 2 | 4 | 2.3 | CCCC(CCC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
CHEMBL40783 | 11222 | 0 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 244 | 10 | 2 | 4 | 2.3 | CCCC(CCC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
54757027 | 65489 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830490 | 65489 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
1786 | 2518 | 85 | None | - | 7 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
4171 | 2518 | 85 | None | - | 7 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
553 | 2518 | 85 | None | - | 7 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
CHEMBL13 | 2518 | 85 | None | - | 7 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
DB00264 | 2518 | 85 | None | - | 7 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
1786 | 2518 | 85 | None | - | 7 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
4171 | 2518 | 85 | None | - | 7 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
553 | 2518 | 85 | None | - | 7 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
CHEMBL13 | 2518 | 85 | None | - | 7 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
DB00264 | 2518 | 85 | None | - | 7 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
54757026 | 65488 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830489 | 65488 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
44287498 | 12401 | 0 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 214 | 6 | 2 | 4 | 1.3 | CC(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
CHEMBL1185760 | 12401 | 0 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 214 | 6 | 2 | 4 | 1.3 | CC(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
CHEMBL431713 | 12401 | 0 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 214 | 6 | 2 | 4 | 1.3 | CC(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
127940 | 204882 | 6 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 351 | 8 | 4 | 3 | 2.9 | CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 | 10.1021/jm00156a019 | ||
CHEMBL7585 | 204882 | 6 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 351 | 8 | 4 | 3 | 2.9 | CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 | 10.1021/jm00156a019 | ||
56598833 | 88265 | 0 | None | 436 | 3 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
CHEMBL2348217 | 88265 | 0 | None | 436 | 3 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
168613 | 60319 | 24 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1 | 10.1021/jm00350a009 | ||
CHEMBL1744069 | 60319 | 24 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1 | 10.1021/jm00350a009 | ||
12733306 | 60079 | 0 | None | - | 0 | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 5 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC(O)C2=COc3ccccc3O2)CC1 | 10.1021/jm00140a015 | ||
CHEMBL173882 | 60079 | 0 | None | - | 0 | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 5 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC(O)C2=COc3ccccc3O2)CC1 | 10.1021/jm00140a015 | ||
2303 | 3185 | 68 | None | - | 20 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
4946 | 3185 | 68 | None | - | 20 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
564 | 3185 | 68 | None | - | 20 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
63 | 3185 | 68 | None | - | 20 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
91536 | 3185 | 68 | None | - | 20 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
CHEMBL27 | 3185 | 68 | None | - | 20 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
CHEMBL452861 | 3185 | 68 | None | - | 20 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
DB00571 | 3185 | 68 | None | - | 20 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
10042467 | 1425 | 1 | None | - | 2 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
1203 | 1425 | 1 | None | - | 2 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
CHEMBL11553 | 1425 | 1 | None | - | 2 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
44371642 | 49216 | 0 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 203 | 6 | 2 | 4 | 0.5 | CC(C)NCC(O)COC(=O)C(C)C | 10.1021/jm00387a006 | ||
CHEMBL156271 | 49216 | 0 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 203 | 6 | 2 | 4 | 0.5 | CC(C)NCC(O)COC(=O)C(C)C | 10.1021/jm00387a006 | ||
12606702 | 12011 | 0 | None | - | 0 | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
CHEMBL1161383 | 12011 | 0 | None | - | 0 | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
CHEMBL1183312 | 12011 | 0 | None | - | 0 | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
CHEMBL289868 | 12011 | 0 | None | - | 0 | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
12606704 | 14314 | 0 | None | - | 0 | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 290 | 7 | 2 | 4 | 2.8 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1161386 | 14314 | 0 | None | - | 0 | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 290 | 7 | 2 | 4 | 2.8 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1199951 | 14314 | 0 | None | - | 0 | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 290 | 7 | 2 | 4 | 2.8 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
44371312 | 49256 | 2 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 203 | 5 | 2 | 4 | 0.7 | CCC(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
CHEMBL156304 | 49256 | 2 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 203 | 5 | 2 | 4 | 0.7 | CCC(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
44264509 | 203686 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 429 | 14 | 2 | 4 | 4.5 | CC(CCc1ccc(F)cc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL6749 | 203686 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 429 | 14 | 2 | 4 | 4.5 | CC(CCc1ccc(F)cc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
3047492 | 203964 | 8 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL6939 | 203964 | 8 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
2303 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
4946 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
564 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
63 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
91536 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
CHEMBL27 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
CHEMBL452861 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
DB00571 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
54669764 | 65490 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830491 | 65490 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
56598967 | 88259 | 0 | None | 2238 | 3 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
CHEMBL2348211 | 88259 | 0 | None | 2238 | 3 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
54757026 | 65488 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830489 | 65488 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
54758320 | 65516 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
CHEMBL1830620 | 65516 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
12606706 | 93231 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL24480 | 93231 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL555848 | 93231 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
1531 | 2264 | 69 | None | - | 12 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
3869 | 2264 | 69 | None | - | 12 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
7207 | 2264 | 69 | None | - | 12 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
CHEMBL429 | 2264 | 69 | None | - | 12 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
DB00598 | 2264 | 69 | None | - | 12 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
121848 | 130708 | 4 | None | - | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
CHEMBL368457 | 130708 | 4 | None | - | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
44264298 | 13372 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 346 | 12 | 2 | 5 | 2.7 | CC(CC#N)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1192477 | 13372 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 346 | 12 | 2 | 5 | 2.7 | CC(CC#N)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL543717 | 13372 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 346 | 12 | 2 | 5 | 2.7 | CC(CC#N)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
12778440 | 60170 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
CHEMBL173976 | 60170 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
54756929 | 65487 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830488 | 65487 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
44263933 | 13655 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 307 | 10 | 2 | 4 | 2.7 | CC(C)NCC(O)COc1ccc(COCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1194583 | 13655 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 307 | 10 | 2 | 4 | 2.7 | CC(C)NCC(O)COc1ccc(COCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL552898 | 13655 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 307 | 10 | 2 | 4 | 2.7 | CC(C)NCC(O)COc1ccc(COCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
2447484 | 102766 | 2 | None | - | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
CHEMBL305153 | 102766 | 2 | None | - | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
54758415 | 65517 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
CHEMBL1830621 | 65517 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
12606709 | 14341 | 0 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 296 | 5 | 2 | 4 | 3.0 | CC(C)(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
CHEMBL1161382 | 14341 | 0 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 296 | 5 | 2 | 4 | 3.0 | CC(C)(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
CHEMBL1200073 | 14341 | 0 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 296 | 5 | 2 | 4 | 3.0 | CC(C)(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
3047500 | 13275 | 1 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1191645 | 13275 | 1 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL542776 | 13275 | 1 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
44371514 | 11699 | 0 | None | - | 0 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL1181235 | 11699 | 0 | None | - | 0 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL160282 | 11699 | 0 | None | - | 0 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
127940 | 204882 | 6 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 351 | 8 | 4 | 3 | 2.9 | CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 | 10.1021/jm00156a019 | ||
CHEMBL7585 | 204882 | 6 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 351 | 8 | 4 | 3 | 2.9 | CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 | 10.1021/jm00156a019 | ||
2369 | 621 | 80 | None | - | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
356 | 621 | 80 | None | - | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
549 | 621 | 80 | None | - | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL423 | 621 | 80 | None | - | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
DB00195 | 621 | 80 | None | - | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
137 | 370 | 52 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
2119 | 370 | 52 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
563 | 370 | 52 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
66368 | 370 | 52 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
CHEMBL266195 | 370 | 52 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
DB00866 | 370 | 52 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
2303 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
4946 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
564 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
63 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
91536 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL27 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL452861 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
DB00571 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
2303 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
4946 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
564 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
63 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
91536 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL27 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL452861 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
DB00571 | 3185 | 68 | None | - | 20 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
54757232 | 65514 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
CHEMBL1830618 | 65514 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
54757126 | 65491 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830492 | 65491 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
44264188 | 203908 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 325 | 10 | 2 | 4 | 2.1 | CC(C)NCC(O)COc1ccc(C[S+]([O-])CC2CC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL6902 | 203908 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 325 | 10 | 2 | 4 | 2.1 | CC(C)NCC(O)COc1ccc(C[S+]([O-])CC2CC2)cc1 | 10.1021/jm00389a008 | ||
54757229 | 65513 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
CHEMBL1830617 | 65513 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
12606687 | 12219 | 0 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 175 | 6 | 2 | 3 | 0.8 | CC(C)NCC(O)COC(C)C | 10.1021/jm00180a007 | ||
CHEMBL1184385 | 12219 | 0 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 175 | 6 | 2 | 3 | 0.8 | CC(C)NCC(O)COC(C)C | 10.1021/jm00180a007 | ||
CHEMBL346972 | 12219 | 0 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 175 | 6 | 2 | 3 | 0.8 | CC(C)NCC(O)COC(C)C | 10.1021/jm00180a007 | ||
134495 | 748 | 24 | None | - | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
18026 | 748 | 24 | None | - | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
9809 | 748 | 24 | None | - | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
CHEMBL289093 | 748 | 24 | None | - | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
134495 | 748 | 24 | None | - | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
18026 | 748 | 24 | None | - | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
9809 | 748 | 24 | None | - | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
CHEMBL289093 | 748 | 24 | None | - | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
44371383 | 49612 | 1 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 257 | 5 | 2 | 5 | 1.7 | CC(C)(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
CHEMBL156603 | 49612 | 1 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 257 | 5 | 2 | 5 | 1.7 | CC(C)(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
10447834 | 1931 | 4 | None | - | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
4026 | 1931 | 4 | None | - | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
CHEMBL275507 | 1931 | 4 | None | - | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
54757129 | 65492 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
CHEMBL1830493 | 65492 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
44287469 | 11995 | 0 | None | - | 0 | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 258 | 9 | 2 | 4 | 2.7 | CCCC(CCC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
CHEMBL1183268 | 11995 | 0 | None | - | 0 | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 258 | 9 | 2 | 4 | 2.7 | CCCC(CCC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
CHEMBL287766 | 11995 | 0 | None | - | 0 | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 258 | 9 | 2 | 4 | 2.7 | CCCC(CCC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
44288489 | 168901 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 314 | 8 | 3 | 5 | 2.5 | OC(CNc1nc2ccccc2[nH]1)CON=C(C1CC1)C1CC1 | 10.1021/jm970338c | ||
CHEMBL43850 | 168901 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 314 | 8 | 3 | 5 | 2.5 | OC(CNc1nc2ccccc2[nH]1)CON=C(C1CC1)C1CC1 | 10.1021/jm970338c | ||
12606684 | 96072 | 3 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1161388 | 96072 | 3 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL26003 | 96072 | 3 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
60657 | 14484 | 34 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1201274 | 14484 | 34 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | 10.1021/jm00389a008 | ||
DB09351 | 14484 | 34 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | 10.1021/jm00389a008 | ||
44371512 | 11669 | 0 | None | - | 0 | Guinea pig | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 292 | 8 | 2 | 4 | 2.8 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL1181139 | 11669 | 0 | None | - | 0 | Guinea pig | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 292 | 8 | 2 | 4 | 2.8 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
CHEMBL156871 | 11669 | 0 | None | - | 0 | Guinea pig | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 292 | 8 | 2 | 4 | 2.8 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
91565 | 9798 | 23 | None | - | 0 | Guinea pig | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 275 | 6 | 3 | 4 | 2.3 | CC(C)NCC(O)COc1ccc(O)c2ccccc12 | 10.1021/jm00373a008 | ||
CHEMBL1137 | 9798 | 23 | None | - | 0 | Guinea pig | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 275 | 6 | 3 | 4 | 2.3 | CC(C)NCC(O)COc1ccc(O)c2ccccc12 | 10.1021/jm00373a008 | ||
13187531 | 204489 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 335 | 10 | 2 | 4 | 3.3 | CC(C)NCC(O)COc1ccc(CCOC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL7250 | 204489 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 335 | 10 | 2 | 4 | 3.3 | CC(C)NCC(O)COc1ccc(CCOC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
44381395 | 59486 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 289 | 6 | 2 | 5 | 1.2 | CC(C)NCC(O)COC1=CC(=O)C(=O)c2ccccc21 | 10.1021/jm00373a008 | ||
CHEMBL171432 | 59486 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 289 | 6 | 2 | 5 | 1.2 | CC(C)NCC(O)COC1=CC(=O)C(=O)c2ccccc21 | 10.1021/jm00373a008 | ||
54756928 | 65486 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830487 | 65486 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
44287620 | 11223 | 0 | None | - | 0 | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 228 | 5 | 2 | 4 | 1.7 | CC(C)(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
CHEMBL1178780 | 11223 | 0 | None | - | 0 | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 228 | 5 | 2 | 4 | 1.7 | CC(C)(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
CHEMBL40971 | 11223 | 0 | None | - | 0 | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 228 | 5 | 2 | 4 | 1.7 | CC(C)(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
12606705 | 11928 | 0 | None | - | 0 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 188 | 6 | 2 | 4 | 0.8 | CC(C)=NOCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL1182729 | 11928 | 0 | None | - | 0 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 188 | 6 | 2 | 4 | 0.8 | CC(C)=NOCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL263065 | 11928 | 0 | None | - | 0 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 188 | 6 | 2 | 4 | 0.8 | CC(C)=NOCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
2685 | 889 | 21 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
541 | 889 | 21 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
CHEMBL280822 | 889 | 21 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
20554490 | 13348 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 364 | 13 | 3 | 5 | 1.5 | CC(=O)NCCNCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1192270 | 13348 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 364 | 13 | 3 | 5 | 1.5 | CC(=O)NCCNCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL543484 | 13348 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 364 | 13 | 3 | 5 | 1.5 | CC(=O)NCCNCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
12733303 | 60391 | 0 | None | - | 0 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 261 | 3 | 1 | 4 | 2.1 | OC(CN1CCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
CHEMBL174882 | 60391 | 0 | None | - | 0 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 261 | 3 | 1 | 4 | 2.1 | OC(CN1CCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
54669764 | 65490 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830491 | 65490 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
44264149 | 13480 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 397 | 11 | 2 | 5 | 3.0 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1193283 | 13480 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 397 | 11 | 2 | 5 | 3.0 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL544661 | 13480 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 397 | 11 | 2 | 5 | 3.0 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
54757232 | 65514 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
CHEMBL1830618 | 65514 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
157716 | 40514 | 42 | None | - | 0 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
CHEMBL148306 | 40514 | 42 | None | - | 0 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
44371389 | 12213 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 202 | 7 | 2 | 4 | 1.1 | CC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL1184362 | 12213 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 202 | 7 | 2 | 4 | 1.1 | CC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL346326 | 12213 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 202 | 7 | 2 | 4 | 1.1 | CC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
1786 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
4171 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
553 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
CHEMBL13 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
DB00264 | 2518 | 85 | None | -4 | 7 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
54757129 | 65492 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
CHEMBL1830493 | 65492 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
157717 | 60240 | 38 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
CHEMBL1741004 | 60240 | 38 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
CHEMBL2062339 | 60240 | 38 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
54756929 | 65487 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830488 | 65487 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
54757331 | 65515 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
CHEMBL1830619 | 65515 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
20554484 | 204134 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 337 | 11 | 2 | 4 | 3.5 | CC(C)NCC(O)COc1ccc(CCSCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL7043 | 204134 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 337 | 11 | 2 | 4 | 3.5 | CC(C)NCC(O)COc1ccc(CCSCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
44264171 | 97067 | 0 | None | - | 0 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 411 | 14 | 2 | 4 | 4.4 | CC(CCc1ccccc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL267220 | 97067 | 0 | None | - | 0 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 411 | 14 | 2 | 4 | 4.4 | CC(CCc1ccccc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
54756928 | 65486 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830487 | 65486 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
44371561 | 49715 | 0 | None | - | 0 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 257 | 5 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
CHEMBL156682 | 49715 | 0 | None | - | 0 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 257 | 5 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
54758417 | 65484 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830485 | 65484 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
12733302 | 166341 | 1 | None | - | 0 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 249 | 3 | 2 | 4 | 2.0 | CC(C)(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
CHEMBL427310 | 166341 | 1 | None | - | 0 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 249 | 3 | 2 | 4 | 2.0 | CC(C)(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
2303 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
4946 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
564 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
63 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
91536 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
CHEMBL27 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
CHEMBL452861 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
DB00571 | 3185 | 68 | None | -22 | 20 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
12606702 | 12011 | 0 | None | - | 0 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
CHEMBL1161383 | 12011 | 0 | None | - | 0 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
CHEMBL1183312 | 12011 | 0 | None | - | 0 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
CHEMBL289868 | 12011 | 0 | None | - | 0 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
3486 | 3155 | 56 | None | - | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
4883 | 3155 | 56 | None | - | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
555 | 3155 | 56 | None | - | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
CHEMBL6995 | 3155 | 56 | None | - | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
DB01297 | 3155 | 56 | None | - | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
12606703 | 13583 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 276 | 8 | 2 | 4 | 2.5 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL1194069 | 13583 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 276 | 8 | 2 | 4 | 2.5 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL545575 | 13583 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 276 | 8 | 2 | 4 | 2.5 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
3047492 | 203964 | 8 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL6939 | 203964 | 8 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
3047492 | 203964 | 8 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL6939 | 203964 | 8 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
54758417 | 65484 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
CHEMBL1830485 | 65484 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
110857 | 12215 | 61 | None | - | 0 | Guinea pig | 4.0 | pKd | = | 4.0 | Functional | ChEMBL | 133 | 4 | 3 | 3 | -0.7 | CC(C)NCC(O)CO | 10.1021/jm00180a007 | ||
CHEMBL1184370 | 12215 | 61 | None | - | 0 | Guinea pig | 4.0 | pKd | = | 4.0 | Functional | ChEMBL | 133 | 4 | 3 | 3 | -0.7 | CC(C)NCC(O)CO | 10.1021/jm00180a007 | ||
CHEMBL346539 | 12215 | 61 | None | - | 0 | Guinea pig | 4.0 | pKd | = | 4.0 | Functional | ChEMBL | 133 | 4 | 3 | 3 | -0.7 | CC(C)NCC(O)CO | 10.1021/jm00180a007 | ||
44264446 | 11075 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 335 | 12 | 2 | 4 | 3.2 | CC(C)NCC(O)COc1ccc(CCCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1177932 | 11075 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 335 | 12 | 2 | 4 | 3.2 | CC(C)NCC(O)COc1ccc(CCCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL7209 | 11075 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 335 | 12 | 2 | 4 | 3.2 | CC(C)NCC(O)COc1ccc(CCCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
44287467 | 11221 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC(CC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
CHEMBL1178777 | 11221 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC(CC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
CHEMBL40626 | 11221 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC(CC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
3047497 | 13397 | 10 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL1192675 | 13397 | 10 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
CHEMBL543955 | 13397 | 10 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
44276727 | 97312 | 0 | None | - | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | ||
CHEMBL26917 | 97312 | 0 | None | - | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | ||
12606685 | 11665 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 189 | 7 | 2 | 3 | 1.0 | CC(C)COCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL1181117 | 11665 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 189 | 7 | 2 | 3 | 1.0 | CC(C)COCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
CHEMBL156258 | 11665 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 189 | 7 | 2 | 3 | 1.0 | CC(C)COCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
132 | 1274 | 13 | None | - | 0 | Rat | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
155346 | 1274 | 13 | None | - | 0 | Rat | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
CHEMBL378501 | 1274 | 13 | None | - | 0 | Rat | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
132 | 1274 | 13 | None | - | 0 | Rat | 10.3 | pKi | = | 10.3 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
155346 | 1274 | 13 | None | - | 0 | Rat | 10.3 | pKi | = | 10.3 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
CHEMBL378501 | 1274 | 13 | None | - | 0 | Rat | 10.3 | pKi | = | 10.3 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
132 | 1274 | 13 | None | - | 0 | Rat | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
155346 | 1274 | 13 | None | - | 0 | Rat | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
CHEMBL378501 | 1274 | 13 | None | - | 0 | Rat | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
132 | 1274 | 13 | None | - | 0 | Rat | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
155346 | 1274 | 13 | None | - | 0 | Rat | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
CHEMBL378501 | 1274 | 13 | None | - | 0 | Rat | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
2685 | 889 | 21 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
541 | 889 | 21 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
CHEMBL280822 | 889 | 21 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
2685 | 889 | 21 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
541 | 889 | 21 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
CHEMBL280822 | 889 | 21 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
2303 | 3185 | 68 | None | - | 20 | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
4946 | 3185 | 68 | None | - | 20 | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
564 | 3185 | 68 | None | - | 20 | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
63 | 3185 | 68 | None | - | 20 | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
91536 | 3185 | 68 | None | - | 20 | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
CHEMBL27 | 3185 | 68 | None | - | 20 | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
CHEMBL452861 | 3185 | 68 | None | - | 20 | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
DB00571 | 3185 | 68 | None | - | 20 | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
5311116 | 2332 | 9 | None | - | 3 | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
544 | 2332 | 9 | None | - | 3 | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
CHEMBL207802 | 2332 | 9 | None | - | 3 | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
9909993 | 77291 | 0 | None | - | 0 | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
CHEMBL208185 | 77291 | 0 | None | - | 0 | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
2685 | 889 | 21 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
541 | 889 | 21 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
CHEMBL280822 | 889 | 21 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
9909993 | 77291 | 0 | None | - | 0 | Rat | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
CHEMBL208185 | 77291 | 0 | None | - | 0 | Rat | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
33624 | 3819 | 34 | None | - | 6 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
4061 | 3819 | 34 | None | - | 6 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
565 | 3819 | 34 | None | - | 6 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
CHEMBL499 | 3819 | 34 | None | - | 6 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
DB00373 | 3819 | 34 | None | - | 6 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
2303 | 3185 | 68 | None | - | 20 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
4946 | 3185 | 68 | None | - | 20 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
564 | 3185 | 68 | None | - | 20 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
63 | 3185 | 68 | None | - | 20 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
91536 | 3185 | 68 | None | - | 20 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
CHEMBL27 | 3185 | 68 | None | - | 20 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
CHEMBL452861 | 3185 | 68 | None | - | 20 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
DB00571 | 3185 | 68 | None | - | 20 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
1786 | 2518 | 85 | None | - | 7 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
4171 | 2518 | 85 | None | - | 7 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
553 | 2518 | 85 | None | - | 7 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
CHEMBL13 | 2518 | 85 | None | - | 7 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
DB00264 | 2518 | 85 | None | - | 7 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
1786 | 2518 | 85 | None | - | 7 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
4171 | 2518 | 85 | None | - | 7 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
553 | 2518 | 85 | None | - | 7 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
CHEMBL13 | 2518 | 85 | None | - | 7 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
DB00264 | 2518 | 85 | None | - | 7 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
2303 | 3185 | 68 | None | - | 20 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
4946 | 3185 | 68 | None | - | 20 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
564 | 3185 | 68 | None | - | 20 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
63 | 3185 | 68 | None | - | 20 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
91536 | 3185 | 68 | None | - | 20 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
CHEMBL27 | 3185 | 68 | None | - | 20 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
CHEMBL452861 | 3185 | 68 | None | - | 20 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
DB00571 | 3185 | 68 | None | - | 20 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
33624 | 3819 | 34 | None | - | 6 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
4061 | 3819 | 34 | None | - | 6 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
565 | 3819 | 34 | None | - | 6 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
CHEMBL499 | 3819 | 34 | None | - | 6 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
DB00373 | 3819 | 34 | None | - | 6 | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
33624 | 3819 | 34 | None | - | 6 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
4061 | 3819 | 34 | None | - | 6 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
565 | 3819 | 34 | None | - | 6 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
CHEMBL499 | 3819 | 34 | None | - | 6 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
DB00373 | 3819 | 34 | None | - | 6 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
2303 | 3185 | 68 | None | - | 20 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
4946 | 3185 | 68 | None | - | 20 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
564 | 3185 | 68 | None | - | 20 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
63 | 3185 | 68 | None | - | 20 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
91536 | 3185 | 68 | None | - | 20 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
CHEMBL27 | 3185 | 68 | None | - | 20 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
CHEMBL452861 | 3185 | 68 | None | - | 20 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
DB00571 | 3185 | 68 | None | - | 20 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
132 | 1274 | 13 | None | - | 0 | Rat | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
155346 | 1274 | 13 | None | - | 0 | Rat | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
CHEMBL378501 | 1274 | 13 | None | - | 0 | Rat | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
2303 | 3185 | 68 | None | - | 20 | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
4946 | 3185 | 68 | None | - | 20 | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
564 | 3185 | 68 | None | - | 20 | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
63 | 3185 | 68 | None | - | 20 | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
91536 | 3185 | 68 | None | - | 20 | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
CHEMBL27 | 3185 | 68 | None | - | 20 | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
CHEMBL452861 | 3185 | 68 | None | - | 20 | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
DB00571 | 3185 | 68 | None | - | 20 | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
1786 | 2518 | 85 | None | - | 7 | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
4171 | 2518 | 85 | None | - | 7 | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
553 | 2518 | 85 | None | - | 7 | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
CHEMBL13 | 2518 | 85 | None | - | 7 | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
DB00264 | 2518 | 85 | None | - | 7 | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
9909993 | 77291 | 0 | None | - | 0 | Rat | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
CHEMBL208185 | 77291 | 0 | None | - | 0 | Rat | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
1786 | 2518 | 85 | None | - | 7 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
4171 | 2518 | 85 | None | - | 7 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
553 | 2518 | 85 | None | - | 7 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
CHEMBL13 | 2518 | 85 | None | - | 7 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
DB00264 | 2518 | 85 | None | - | 7 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
5311116 | 2332 | 9 | None | - | 3 | Rat | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
544 | 2332 | 9 | None | - | 3 | Rat | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
CHEMBL207802 | 2332 | 9 | None | - | 3 | Rat | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
1786 | 2518 | 85 | None | - | 7 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
4171 | 2518 | 85 | None | - | 7 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
553 | 2518 | 85 | None | - | 7 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
CHEMBL13 | 2518 | 85 | None | - | 7 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
DB00264 | 2518 | 85 | None | - | 7 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
33624 | 3819 | 34 | None | - | 6 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
4061 | 3819 | 34 | None | - | 6 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
565 | 3819 | 34 | None | - | 6 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
CHEMBL499 | 3819 | 34 | None | - | 6 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
DB00373 | 3819 | 34 | None | - | 6 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
44331346 | 208387 | 0 | None | -120 | 3 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
CHEMBL99599 | 208387 | 0 | None | -120 | 3 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
2685 | 889 | 21 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
541 | 889 | 21 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
CHEMBL280822 | 889 | 21 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
33624 | 3819 | 34 | None | - | 6 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
4061 | 3819 | 34 | None | - | 6 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
565 | 3819 | 34 | None | - | 6 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
CHEMBL499 | 3819 | 34 | None | - | 6 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
DB00373 | 3819 | 34 | None | - | 6 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
5311116 | 2332 | 9 | None | - | 3 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
544 | 2332 | 9 | None | - | 3 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
CHEMBL207802 | 2332 | 9 | None | - | 3 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
9909993 | 77291 | 0 | None | - | 0 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
CHEMBL208185 | 77291 | 0 | None | - | 0 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
5311116 | 2332 | 9 | None | - | 3 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
544 | 2332 | 9 | None | - | 3 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
CHEMBL207802 | 2332 | 9 | None | - | 3 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
2685 | 889 | 21 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
541 | 889 | 21 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
CHEMBL280822 | 889 | 21 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
9909993 | 77291 | 0 | None | - | 0 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
CHEMBL208185 | 77291 | 0 | None | - | 0 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
5311116 | 2332 | 9 | None | - | 3 | Rat | 4.1 | pKi | = | 4.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
544 | 2332 | 9 | None | - | 3 | Rat | 4.1 | pKi | = | 4.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
CHEMBL207802 | 2332 | 9 | None | - | 3 | Rat | 4.1 | pKi | = | 4.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
41835 | 217713 | 0 | None | 54 | 2 | Human | 7.8 | pA2 | = | 7.8 | Functional | Drug Central | 372 | 8 | 4 | 6 | 1.9 | CC(CCC1=CC2=C(OCO2)C=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1 | None | ||
2249 | 512 | 111 | None | -18 | 5 | Rat | 6.8 | pA2 | = | 6.8 | Functional | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 31837330 | ||
255 | 512 | 111 | None | -18 | 5 | Rat | 6.8 | pA2 | = | 6.8 | Functional | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 31837330 | ||
548 | 512 | 111 | None | -18 | 5 | Rat | 6.8 | pA2 | = | 6.8 | Functional | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 31837330 | ||
CHEMBL24 | 512 | 111 | None | -18 | 5 | Rat | 6.8 | pA2 | = | 6.8 | Functional | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 31837330 | ||
DB00335 | 512 | 111 | None | -18 | 5 | Rat | 6.8 | pA2 | = | 6.8 | Functional | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 31837330 | ||
2475 | 740 | 0 | None | - | 1 | Rat | 9.0 | pA2 | = | 9 | Functional | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 31837330 | ||
433 | 740 | 0 | None | - | 1 | Rat | 9.0 | pA2 | = | 9 | Functional | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 31837330 | ||
550 | 740 | 0 | None | - | 1 | Rat | 9.0 | pA2 | = | 9 | Functional | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 31837330 | ||
CHEMBL305380 | 740 | 0 | None | - | 1 | Rat | 9.0 | pA2 | = | 9 | Functional | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 31837330 | ||
DB08808 | 740 | 0 | None | - | 1 | Rat | 9.0 | pA2 | = | 9 | Functional | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 31837330 | ||
36811 | 1453 | 37 | None | -11 | 17 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
535 | 1453 | 37 | None | -11 | 17 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
937 | 1453 | 37 | None | -11 | 17 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
CHEMBL926 | 1453 | 37 | None | -11 | 17 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
DB00841 | 1453 | 37 | None | -11 | 17 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
10184665 | 3989 | 51 | None | -173 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
4799 | 3989 | 51 | None | -173 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
7353 | 3989 | 51 | None | -173 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
CHEMBL1198857 | 3989 | 51 | None | -173 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
DB09082 | 3989 | 51 | None | -173 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
65772 | 60401 | 8 | None | -20 | 11 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
CHEMBL174984 | 60401 | 8 | None | -20 | 11 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
443372 | 10232 | 26 | None | -2 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
CHEMBL1160723 | 10232 | 26 | None | -2 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
CHEMBL2062275 | 10232 | 26 | None | -2 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
12065 | 627 | 26 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 19875286 | ||
12065 | 627 | 26 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 33093660 | ||
45483813 | 627 | 26 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 19875286 | ||
45483813 | 627 | 26 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 33093660 | ||
CHEMBL579394 | 627 | 26 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 19875286 | ||
CHEMBL579394 | 627 | 26 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 33093660 | ||
9512 | 3634 | 42 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
9887812 | 3634 | 42 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
CHEMBL208427 | 3634 | 42 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
DB06190 | 3634 | 42 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
2598 | 3776 | 58 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | ||
5403 | 3776 | 58 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | ||
560 | 3776 | 58 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | ||
CHEMBL1760 | 3776 | 58 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | ||
DB00871 | 3776 | 58 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | ||
123600 | 2312 | 0 | None | -2 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | ||
1575 | 2312 | 0 | None | -2 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | ||
9816 | 2312 | 0 | None | -2 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | ||
CHEMBL1002 | 2312 | 0 | None | -2 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | ||
DB13139 | 2312 | 0 | None | -2 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | ||
567 | 724 | 16 | None | -323 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | ||
9841972 | 724 | 16 | None | -323 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | ||
CHEMBL284782 | 724 | 16 | None | -323 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | ||
36811 | 1453 | 37 | None | -11 | 17 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | ||
535 | 1453 | 37 | None | -11 | 17 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | ||
937 | 1453 | 37 | None | -11 | 17 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | ||
CHEMBL926 | 1453 | 37 | None | -11 | 17 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | ||
DB00841 | 1453 | 37 | None | -11 | 17 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | ||
1155 | 1627 | 53 | None | -17 | 11 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
3343 | 1627 | 53 | None | -17 | 11 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
557 | 1627 | 53 | None | -17 | 11 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
CHEMBL32800 | 1627 | 53 | None | -17 | 11 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
DB01288 | 1627 | 53 | None | -17 | 11 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
1028 | 291 | 71 | None | -10 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
139148732 | 291 | 71 | None | -10 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
479 | 291 | 71 | None | -10 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
5816 | 291 | 71 | None | -10 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
CHEMBL679 | 291 | 71 | None | -10 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
DB00668 | 291 | 71 | None | -10 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
5311064 | 1365 | 46 | None | 3 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | ||
534 | 1365 | 46 | None | 3 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | ||
806 | 1365 | 46 | None | 3 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | ||
CHEMBL493682 | 1365 | 46 | None | 3 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | ||
1960 | 2855 | 67 | None | -1 | 19 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
439260 | 2855 | 67 | None | -1 | 19 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
505 | 2855 | 67 | None | -1 | 19 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
CHEMBL1437 | 2855 | 67 | None | -1 | 19 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
DB00368 | 2855 | 67 | None | -1 | 19 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
1239 | 1675 | 55 | None | -67 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
3410 | 1675 | 55 | None | -67 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
3465 | 1675 | 55 | None | -67 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
CHEMBL1256786 | 1675 | 55 | None | -67 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
DB00983 | 1675 | 55 | None | -67 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
12578 | 935 | 61 | None | 186 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | ||
2755 | 935 | 61 | None | 186 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | ||
CHEMBL1374751 | 935 | 61 | None | 186 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | ||
1499 | 2089 | 47 | None | -58 | 38 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
3779 | 2089 | 47 | None | -58 | 38 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
536 | 2089 | 47 | None | -58 | 38 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
CHEMBL434 | 2089 | 47 | None | -58 | 38 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
DB01064 | 2089 | 47 | None | -58 | 38 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
12582 | 949 | 45 | None | -1 | 7 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
2783 | 949 | 45 | None | -1 | 7 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
CHEMBL49080 | 949 | 45 | None | -1 | 7 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
DB01407 | 949 | 45 | None | -1 | 7 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
4382 | 2537 | 0 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
4382 | 2537 | 0 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
7445 | 2537 | 0 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
7445 | 2537 | 0 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
9865528 | 2537 | 0 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
9865528 | 2537 | 0 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
CHEMBL2095212 | 2537 | 0 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
CHEMBL2095212 | 2537 | 0 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
DB08893 | 2537 | 0 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
DB08893 | 2537 | 0 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
176 | 398 | 66 | None | -4 | 40 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2157 | 398 | 66 | None | -4 | 40 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2566 | 398 | 66 | None | -4 | 40 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
CHEMBL633 | 398 | 66 | None | -4 | 40 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
DB01118 | 398 | 66 | None | -4 | 40 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
1499 | 2089 | 47 | None | -269 | 38 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
3779 | 2089 | 47 | None | -269 | 38 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
536 | 2089 | 47 | None | -269 | 38 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
CHEMBL434 | 2089 | 47 | None | -269 | 38 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
DB01064 | 2089 | 47 | None | -269 | 38 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
319 | 1323 | 44 | None | -43 | 18 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
321 | 1323 | 44 | None | -43 | 18 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
444031 | 1323 | 44 | None | -43 | 18 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
72054 | 1323 | 44 | None | -43 | 18 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
784 | 1323 | 44 | None | -43 | 18 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
CHEMBL1346 | 1323 | 44 | None | -43 | 18 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
DB00496 | 1323 | 44 | None | -43 | 18 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
Vendors |
Reference ligand |
Fold selectivity |
Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
9906822 | 162035 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
CHEMBL416012 | 162035 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
44396736 | 66866 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL186271 | 66866 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
44396715 | 67449 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL189081 | 67449 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
9927453 | 96685 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL26393 | 96685 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
44392457 | 165955 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL425161 | 165955 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
44328703 | 10227 | 0 | None | - | 2 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1160694 | 10227 | 0 | None | - | 2 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
10347461 | 106278 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | |||
CHEMBL3126384 | 106278 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | |||
CHEMBL3139025 | 106278 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | |||
146025803 | 176175 | 0 | None | - | 2 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4593181 | 176175 | 0 | None | - | 2 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
76333795 | 85313 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 558 | 11 | 5 | 8 | 3.1 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL2260985 | 85313 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 558 | 11 | 5 | 8 | 3.1 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1007/s00044-009-9257-x | |||
10482960 | 106387 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | |||
CHEMBL3126383 | 106387 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | |||
CHEMBL3139365 | 106387 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | |||
567 | 724 | 16 | None | -13 | 5 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
9841972 | 724 | 16 | None | -13 | 5 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
CHEMBL284782 | 724 | 16 | None | -13 | 5 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
65772 | 60401 | 8 | None | -4 | 6 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
CHEMBL174984 | 60401 | 8 | None | -4 | 6 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
11432806 | 66195 | 0 | None | -16 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL184407 | 66195 | 0 | None | -16 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
44396568 | 67284 | 0 | None | -28 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL188196 | 67284 | 0 | None | -28 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
76315638 | 85314 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
CHEMBL2260986 | 85314 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
2419 | 3461 | 84 | None | -154 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
5152 | 3461 | 84 | None | -154 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
559 | 3461 | 84 | None | -154 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1263 | 3461 | 84 | None | -154 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
DB00938 | 3461 | 84 | None | -154 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
127046950 | 140043 | 0 | None | - | 6 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3800303 | 140043 | 0 | None | - | 6 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
11318107 | 106386 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
CHEMBL3126386 | 106386 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
CHEMBL3139364 | 106386 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
11318358 | 106430 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
CHEMBL3126387 | 106430 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
CHEMBL3139613 | 106430 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
10393774 | 120741 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 598 | 14 | 5 | 9 | 2.1 | CCCCN(c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)S(=O)(=O)CC(=O)O | 10.1021/jm000544b | |||
CHEMBL35500 | 120741 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 598 | 14 | 5 | 9 | 2.1 | CCCCN(c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)S(=O)(=O)CC(=O)O | 10.1021/jm000544b | |||
44396532 | 66754 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL185836 | 66754 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
164612037 | 185375 | 0 | None | -1 | 20 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL4860528 | 185375 | 0 | None | -1 | 20 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | |||
76315640 | 85316 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 575 | 12 | 3 | 7 | 5.8 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 | 10.1007/s00044-009-9257-x | |||
CHEMBL2260988 | 85316 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 575 | 12 | 3 | 7 | 5.8 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 | 10.1007/s00044-009-9257-x | |||
13720716 | 63051 | 0 | None | -1 | 2 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
CHEMBL1788251 | 63051 | 0 | None | -1 | 2 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
443372 | 10232 | 26 | None | - | 3 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1160723 | 10232 | 26 | None | - | 3 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL2062275 | 10232 | 26 | None | - | 3 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
10370605 | 106431 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | |||
CHEMBL3126385 | 106431 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | |||
CHEMBL3139615 | 106431 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | |||
146025803 | 176175 | 0 | None | - | 2 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4593181 | 176175 | 0 | None | - | 2 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
146025803 | 176175 | 0 | None | - | 2 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4593181 | 176175 | 0 | None | - | 2 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
15133335 | 35294 | 0 | None | - | 0 | Guinea pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 413 | 5 | 3 | 6 | 3.6 | COc1cc(CC2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC | 10.1021/jm00081a007 | |||
CHEMBL143645 | 35294 | 0 | None | - | 0 | Guinea pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 413 | 5 | 3 | 6 | 3.6 | COc1cc(CC2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC | 10.1021/jm00081a007 | |||
15133334 | 118583 | 0 | None | - | 0 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 471 | 5 | 3 | 6 | 3.2 | COc1cc(CC2NCCc3cc(O)c(O)c(I)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
CHEMBL341654 | 118583 | 0 | None | - | 0 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 471 | 5 | 3 | 6 | 3.2 | COc1cc(CC2NCCc3cc(O)c(O)c(I)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
44583033 | 185528 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 385 | 9 | 4 | 5 | 2.2 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1021/jm900364m | |||
CHEMBL486278 | 185528 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 385 | 9 | 4 | 5 | 2.2 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1021/jm900364m | |||
44396779 | 67059 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL187209 | 67059 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
146025802 | 169576 | 0 | None | - | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4435895 | 169576 | 0 | None | - | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
44328703 | 10227 | 0 | None | - | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1160694 | 10227 | 0 | None | - | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
146025802 | 169576 | 0 | None | - | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4435895 | 169576 | 0 | None | - | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
3931 | 2246 | 48 | None | -3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
9829836 | 2246 | 48 | None | -3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
CHEMBL12998 | 2246 | 48 | None | -3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
44392558 | 65253 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL182770 | 65253 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
11962616 | 221 | 14 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | |||
9326 | 221 | 14 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | |||
CHEMBL3039530 | 221 | 14 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | |||
DB12100 | 221 | 14 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | |||
127045855 | 139662 | 0 | None | - | 6 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3797876 | 139662 | 0 | None | - | 6 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
3083544 | 26807 | 51 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
CHEMBL1200811 | 26807 | 51 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
CHEMBL1363 | 26807 | 51 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
CHEMBL1951071 | 26807 | 51 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
CHEMBL605993 | 26807 | 51 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
DB00983 | 26807 | 51 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
DB01274 | 26807 | 51 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
146025802 | 169576 | 0 | None | - | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4435895 | 169576 | 0 | None | - | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
146025802 | 169576 | 0 | None | - | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4435895 | 169576 | 0 | None | - | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
10184665 | 3989 | 51 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
4799 | 3989 | 51 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
7353 | 3989 | 51 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
CHEMBL1198857 | 3989 | 51 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
DB09082 | 3989 | 51 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
9917962 | 167954 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL431678 | 167954 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
443372 | 10232 | 26 | None | - | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1160723 | 10232 | 26 | None | - | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL2062275 | 10232 | 26 | None | - | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
76322965 | 85317 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 511 | 9 | 3 | 7 | 4.5 | C[C@H](Cc1cn2c3c(cccc13)OCCC2)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL2260989 | 85317 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 511 | 9 | 3 | 7 | 4.5 | C[C@H](Cc1cn2c3c(cccc13)OCCC2)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
11270071 | 98988 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL279931 | 98988 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
9803765 | 99645 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 449 | 8 | 5 | 7 | 1.8 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | |||
CHEMBL284311 | 99645 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 449 | 8 | 5 | 7 | 1.8 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | |||
168290235 | 192966 | 0 | None | -5 | 20 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL5201074 | 192966 | 0 | None | -5 | 20 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL5222491 | 192966 | 0 | None | -5 | 20 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
44396531 | 66833 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
CHEMBL186135 | 66833 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
443372 | 10232 | 26 | None | - | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1160723 | 10232 | 26 | None | - | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL2062275 | 10232 | 26 | None | - | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
127046950 | 140043 | 0 | None | - | 6 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3800303 | 140043 | 0 | None | - | 6 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
10053159 | 106279 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | |||
CHEMBL3124955 | 106279 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | |||
CHEMBL3139033 | 106279 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | |||
10076176 | 106433 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | |||
CHEMBL3126382 | 106433 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | |||
CHEMBL3139683 | 106433 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | |||
10339796 | 121679 | 0 | None | - | 0 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 381 | 5 | 3 | 6 | 2.8 | COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
CHEMBL358648 | 121679 | 0 | None | - | 0 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 381 | 5 | 3 | 6 | 2.8 | COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
2419 | 3461 | 84 | None | -154 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
5152 | 3461 | 84 | None | -154 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
559 | 3461 | 84 | None | -154 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1263 | 3461 | 84 | None | -154 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
DB00938 | 3461 | 84 | None | -154 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
127045855 | 139662 | 0 | None | - | 6 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3797876 | 139662 | 0 | None | - | 6 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
443372 | 10232 | 26 | None | - | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1160723 | 10232 | 26 | None | - | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL2062275 | 10232 | 26 | None | - | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
44396513 | 66721 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
CHEMBL185660 | 66721 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
6916441 | 99325 | 1 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL282190 | 99325 | 1 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
44396577 | 66950 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL186676 | 66950 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
44396596 | 123298 | 0 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
CHEMBL361505 | 123298 | 0 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
76319327 | 85324 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 584 | 14 | 4 | 7 | 4.5 | CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
CHEMBL2261203 | 85324 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 584 | 14 | 4 | 7 | 4.5 | CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
13720717 | 77849 | 0 | None | -3 | 2 | Guinea pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
CHEMBL2092996 | 77849 | 0 | None | -3 | 2 | Guinea pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
127045855 | 139662 | 0 | None | - | 6 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3797876 | 139662 | 0 | None | - | 6 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
44328703 | 10227 | 0 | None | - | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1160694 | 10227 | 0 | None | - | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
44328703 | 10227 | 0 | None | - | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1160694 | 10227 | 0 | None | - | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
76329060 | 106434 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | |||
CHEMBL3126381 | 106434 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | |||
CHEMBL3139685 | 106434 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | |||
76315639 | 85315 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(C(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
CHEMBL2260987 | 85315 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(C(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
76315637 | 85312 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 607 | 12 | 4 | 10 | 4.2 | CCOC(=O)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
CHEMBL2260984 | 85312 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 607 | 12 | 4 | 10 | 4.2 | CCOC(=O)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
44396530 | 67086 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
CHEMBL187317 | 67086 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
44392542 | 65860 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL183552 | 65860 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1007/s00044-009-9257-x | |||
443372 | 10232 | 26 | None | - | 3 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | |||
CHEMBL1160723 | 10232 | 26 | None | - | 3 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | |||
CHEMBL2062275 | 10232 | 26 | None | - | 3 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | |||
127045855 | 139662 | 0 | None | - | 6 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3797876 | 139662 | 0 | None | - | 6 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
127046950 | 140043 | 0 | None | - | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3800303 | 140043 | 0 | None | - | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
127046950 | 140043 | 0 | None | - | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3800303 | 140043 | 0 | None | - | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
146025802 | 169576 | 0 | None | - | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4435895 | 169576 | 0 | None | - | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
2419 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
5152 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
559 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
CHEMBL1263 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
DB00938 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
146025803 | 176175 | 0 | None | - | 2 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4593181 | 176175 | 0 | None | - | 2 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
44392575 | 64370 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
CHEMBL181300 | 64370 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
53494950 | 73098 | 0 | None | - | 0 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 416 | 12 | 4 | 6 | 2.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1cccc(OCCF)c1 | 10.1021/ml1002458 | |||
CHEMBL2011218 | 73098 | 0 | None | - | 0 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 416 | 12 | 4 | 6 | 2.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1cccc(OCCF)c1 | 10.1021/ml1002458 | |||
70683109 | 73106 | 0 | None | - | 0 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 481 | 9 | 4 | 6 | 1.7 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(I)nc1 | 10.1021/ml1002458 | |||
CHEMBL2011226 | 73106 | 0 | None | - | 0 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 481 | 9 | 4 | 6 | 1.7 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(I)nc1 | 10.1021/ml1002458 | |||
70693600 | 73107 | 0 | None | - | 0 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 433 | 9 | 4 | 6 | 1.9 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(Br)nc1 | 10.1021/ml1002458 | |||
CHEMBL2011227 | 73107 | 0 | None | - | 0 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 433 | 9 | 4 | 6 | 1.9 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(Br)nc1 | 10.1021/ml1002458 | |||
11546170 | 73096 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 416 | 12 | 4 | 6 | 2.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCF)cc1 | 10.1021/ml1002458 | |||
CHEMBL2011216 | 73096 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 416 | 12 | 4 | 6 | 2.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCF)cc1 | 10.1021/ml1002458 | |||
70691507 | 73095 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 372 | 9 | 4 | 5 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(F)cc1 | 10.1021/ml1002458 | |||
CHEMBL2011215 | 73095 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 372 | 9 | 4 | 5 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(F)cc1 | 10.1021/ml1002458 | |||
70683108 | 73104 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 417 | 12 | 4 | 7 | 1.5 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCF)nc1 | 10.1021/ml1002458 | |||
CHEMBL2011224 | 73104 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 417 | 12 | 4 | 7 | 1.5 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCF)nc1 | 10.1021/ml1002458 | |||
11523842 | 73093 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 384 | 10 | 4 | 6 | 1.7 | COc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 | 10.1021/ml1002458 | |||
CHEMBL2011213 | 73093 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 384 | 10 | 4 | 6 | 1.7 | COc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 | 10.1021/ml1002458 | |||
70680984 | 73114 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 371 | 10 | 3 | 5 | 1.4 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Cc1ccc(F)cc1 | 10.1021/ml1002458 | |||
CHEMBL2011235 | 73114 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 371 | 10 | 3 | 5 | 1.4 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Cc1ccc(F)cc1 | 10.1021/ml1002458 | |||
2585 | 802 | 103 | None | -1 | 22 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
522 | 802 | 103 | None | -1 | 22 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
551 | 802 | 103 | None | -1 | 22 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
CHEMBL723 | 802 | 103 | None | -1 | 22 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
DB01136 | 802 | 103 | None | -1 | 22 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
70687345 | 73094 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 372 | 9 | 4 | 5 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccccc1F | 10.1021/ml1002458 | |||
CHEMBL2011214 | 73094 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 372 | 9 | 4 | 5 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccccc1F | 10.1021/ml1002458 | |||
70683106 | 73097 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 430 | 13 | 4 | 6 | 2.4 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCCF)cc1 | 10.1021/ml1002458 | |||
CHEMBL2011217 | 73097 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 430 | 13 | 4 | 6 | 2.4 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCCF)cc1 | 10.1021/ml1002458 | |||
70680982 | 73105 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 373 | 9 | 4 | 6 | 1.2 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(F)nc1 | 10.1021/ml1002458 | |||
CHEMBL2011225 | 73105 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 373 | 9 | 4 | 6 | 1.2 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(F)nc1 | 10.1021/ml1002458 | |||
70693601 | 73108 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 434 | 9 | 4 | 7 | 1.3 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1cnc(Br)cn1 | 10.1021/ml1002458 | |||
CHEMBL2011228 | 73108 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 434 | 9 | 4 | 7 | 1.3 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1cnc(Br)cn1 | 10.1021/ml1002458 | |||
127 | 3124 | 52 | None | 2 | 15 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
688095 | 3124 | 52 | None | 2 | 15 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
CHEMBL117405 | 3124 | 52 | None | 2 | 15 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
2176 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
4828 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
91 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
CHEMBL500 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
DB00960 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
70689402 | 73102 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)c(F)c1 | 10.1021/ml1002458 | |||
CHEMBL2011222 | 73102 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)c(F)c1 | 10.1021/ml1002458 | |||
70680981 | 73099 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 12 | 5 | 6 | 2.5 | CC(CF)Nc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 | 10.1021/ml1002458 | |||
CHEMBL2011219 | 73099 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 12 | 5 | 6 | 2.5 | CC(CF)Nc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 | 10.1021/ml1002458 | |||
145990586 | 166841 | 0 | None | -1 | 11 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
CHEMBL4285281 | 166841 | 0 | None | -1 | 11 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm058018d | |||
255 | 512 | 111 | None | -5 | 12 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm058018d | |||
548 | 512 | 111 | None | -5 | 12 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm058018d | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm058018d | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm058018d | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
24901416 | 70357 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945035 | 70357 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
44268305 | 98295 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL274782 | 98295 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
1531 | 2264 | 69 | None | -1 | 16 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
3869 | 2264 | 69 | None | -1 | 16 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
7207 | 2264 | 69 | None | -1 | 16 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
CHEMBL429 | 2264 | 69 | None | -1 | 16 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
DB00598 | 2264 | 69 | None | -1 | 16 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
70685188 | 73110 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 392 | 11 | 4 | 9 | -0.3 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1nnn(CCF)n1 | 10.1021/ml1002458 | |||
CHEMBL2011230 | 73110 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 392 | 11 | 4 | 9 | -0.3 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1nnn(CCF)n1 | 10.1021/ml1002458 | |||
70687347 | 73112 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 358 | 9 | 3 | 6 | 0.9 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)c1ccc(F)nc1 | 10.1021/ml1002458 | |||
CHEMBL2011233 | 73112 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 358 | 9 | 3 | 6 | 0.9 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)c1ccc(F)nc1 | 10.1021/ml1002458 | |||
24901143 | 70363 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945041 | 70363 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
24900750 | 70377 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945289 | 70377 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
16049162 | 64090 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(C(F)(F)F)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807826 | 64090 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(C(F)(F)F)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
16049377 | 64096 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807832 | 64096 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
24900751 | 70378 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945290 | 70378 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
44268277 | 22306 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 408 | 11 | 4 | 6 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL13238 | 22306 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 408 | 11 | 4 | 6 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44281371 | 100118 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 655 | 14 | 3 | 10 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL287567 | 100118 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 655 | 14 | 3 | 10 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44377315 | 57373 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 605 | 14 | 3 | 6 | 5.4 | O=C1N(CCCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL165177 | 57373 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 605 | 14 | 3 | 6 | 5.4 | O=C1N(CCCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
44313090 | 103168 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 568 | 12 | 6 | 7 | 4.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
CHEMBL308126 | 103168 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 568 | 12 | 6 | 7 | 4.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
44312949 | 203762 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 602 | 11 | 6 | 6 | 6.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(CC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
CHEMBL67998 | 203762 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 602 | 11 | 6 | 6 | 6.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(CC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
3038500 | 9338 | 12 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | |||
CHEMBL111201 | 9338 | 12 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | |||
44307007 | 100776 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 469 | 12 | 3 | 6 | 3.6 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL292947 | 100776 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 469 | 12 | 3 | 6 | 3.6 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
10437614 | 100940 | 12 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL294042 | 100940 | 12 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44303198 | 203156 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 568 | 11 | 4 | 7 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL64201 | 203156 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 568 | 11 | 4 | 7 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
44307065 | 203330 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 2.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(F)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL64932 | 203330 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 2.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(F)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44307064 | 203333 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 461 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL64936 | 203333 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 461 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44307343 | 203601 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 457 | 12 | 3 | 7 | 2.5 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL66964 | 203601 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 457 | 12 | 3 | 7 | 2.5 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44268572 | 25663 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 572 | 16 | 6 | 8 | 2.9 | COCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL13521 | 25663 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 572 | 16 | 6 | 8 | 2.9 | COCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44268482 | 98097 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 499 | 12 | 5 | 7 | 2.7 | CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL273428 | 98097 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 499 | 12 | 5 | 7 | 2.7 | CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
12017016 | 100164 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 574 | 14 | 3 | 7 | 5.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL287947 | 100164 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 574 | 14 | 3 | 7 | 5.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
44298497 | 194697 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 464 | 11 | 1 | 5 | 5.9 | CCCCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL53359 | 194697 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 464 | 11 | 1 | 5 | 5.9 | CCCCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
44298731 | 198079 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 429 | 10 | 2 | 3 | 4.9 | CCCCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL57430 | 198079 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 429 | 10 | 2 | 3 | 4.9 | CCCCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
9799092 | 47304 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | |||
CHEMBL154419 | 47304 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | |||
44268281 | 16876 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 436 | 14 | 4 | 6 | 2.9 | CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12498 | 16876 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 436 | 14 | 4 | 6 | 2.9 | CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44268275 | 19611 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 484 | 14 | 4 | 6 | 3.3 | O=S(=O)(CCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL13003 | 19611 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 484 | 14 | 4 | 6 | 3.3 | O=S(=O)(CCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44268254 | 20011 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 302 | 8 | 4 | 5 | 1.5 | Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL13034 | 20011 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 302 | 8 | 4 | 5 | 1.5 | Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44268295 | 98542 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 12 | 4 | 6 | 2.1 | CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL276480 | 98542 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 12 | 4 | 6 | 2.1 | CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44268324 | 16782 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12450 | 16782 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44268274 | 18848 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cccc(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12813 | 18848 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cccc(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | |||
44335572 | 5171 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 475 | 9 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL105968 | 5171 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 475 | 9 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44335498 | 107541 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 447 | 9 | 3 | 5 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL318802 | 107541 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 447 | 9 | 3 | 5 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | |||
44335562 | 108539 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 558 | 14 | 4 | 6 | 4.7 | O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL320138 | 108539 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 558 | 14 | 4 | 6 | 4.7 | O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44303192 | 203283 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL64697 | 203283 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00571-x | |||
12049923 | 203669 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL67404 | 203669 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
44461468 | 105626 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 608 | 17 | 4 | 9 | 3.7 | CCCCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL312364 | 105626 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 608 | 17 | 4 | 9 | 3.7 | CCCCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
44377412 | 120152 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 580 | 15 | 4 | 9 | 3.0 | CCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL351467 | 120152 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 580 | 15 | 4 | 9 | 3.0 | CCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
44281037 | 113336 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 479 | 10 | 3 | 8 | 3.1 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL33168 | 113336 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 479 | 10 | 3 | 8 | 3.1 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
12043158 | 163227 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CC(O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL418411 | 163227 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CC(O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
44377677 | 56878 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 495 | 10 | 3 | 6 | 2.6 | CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL164401 | 56878 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 495 | 10 | 3 | 6 | 2.6 | CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
44377517 | 57230 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 551 | 14 | 3 | 6 | 4.2 | CCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL165015 | 57230 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 551 | 14 | 3 | 6 | 4.2 | CCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
44377957 | 57499 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 537 | 13 | 3 | 6 | 3.8 | CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL166013 | 57499 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 537 | 13 | 3 | 6 | 3.8 | CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
44377650 | 120203 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 577 | 13 | 3 | 6 | 4.6 | O=C1N(CCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL351967 | 120203 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 577 | 13 | 3 | 6 | 4.6 | O=C1N(CCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
44461489 | 205350 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 4.3 | O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL79675 | 205350 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 4.3 | O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
44461719 | 205862 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 641 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL83754 | 205862 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 641 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
44306992 | 203759 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 442 | 11 | 4 | 7 | 2.0 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL67993 | 203759 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 442 | 11 | 4 | 7 | 2.0 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
44298767 | 100897 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 553 | 15 | 4 | 6 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL293818 | 100897 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 553 | 15 | 4 | 6 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | |||
44298306 | 101997 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 435 | 6 | 1 | 3 | 4.1 | CN(CCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL301594 | 101997 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 435 | 6 | 1 | 3 | 4.1 | CN(CCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
44298752 | 196856 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 415 | 8 | 1 | 3 | 4.5 | CCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL56594 | 196856 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 415 | 8 | 1 | 3 | 4.5 | CCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
44298718 | 197085 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 386 | 8 | 1 | 3 | 4.3 | CCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL56752 | 197085 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 386 | 8 | 1 | 3 | 4.3 | CCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
44335844 | 4869 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 363 | 9 | 3 | 5 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL104377 | 4869 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 363 | 9 | 3 | 5 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44335882 | 4902 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 425 | 11 | 3 | 5 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL104551 | 4902 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 425 | 11 | 3 | 5 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44335833 | 5579 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 448 | 9 | 3 | 6 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL107681 | 5579 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 448 | 9 | 3 | 6 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | |||
44301881 | 100533 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 6.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4s3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL291306 | 100533 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 6.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4s3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
44377755 | 119952 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 589 | 13 | 3 | 8 | 4.0 | O=c1n(CCCC(F)(F)F)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL349689 | 119952 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 589 | 13 | 3 | 8 | 4.0 | O=c1n(CCCC(F)(F)F)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
44461488 | 205373 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 606 | 13 | 3 | 7 | 3.0 | O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL79915 | 205373 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 606 | 13 | 3 | 7 | 3.0 | O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 | 10.1016/s0960-894x(99)00072-4 | |||
44298761 | 195012 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 331 | 3 | 2 | 3 | 2.2 | CNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL54885 | 195012 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 331 | 3 | 2 | 3 | 2.2 | CNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
145947241 | 167630 | 0 | None | -8 | 2 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4128940 | 167630 | 0 | None | -8 | 2 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4301544 | 167630 | 0 | None | -8 | 2 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | |||
44349588 | 116960 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 628 | 16 | 4 | 7 | 8.0 | CCCCCCCCc1csc(N2CCc3cc(N/C(S)=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL338664 | 116960 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 628 | 16 | 4 | 7 | 8.0 | CCCCCCCCc1csc(N2CCc3cc(N/C(S)=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
9912580 | 18083 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 470 | 13 | 4 | 6 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12674 | 18083 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 470 | 13 | 4 | 6 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44301818 | 202748 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 572 | 11 | 4 | 8 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL61962 | 202748 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 572 | 11 | 4 | 8 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
14998855 | 55699 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 402 | 6 | 2 | 5 | 1.3 | CN(c1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1)S(C)(=O)=O | 10.1021/jm00082a016 | |||
CHEMBL162200 | 55699 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 402 | 6 | 2 | 5 | 1.3 | CN(c1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1)S(C)(=O)=O | 10.1021/jm00082a016 | |||
14998858 | 120044 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 422 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3cccc(Cl)c3)CCN2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL350432 | 120044 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 422 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3cccc(Cl)c3)CCN2)cc1 | 10.1021/jm00082a016 | |||
44349378 | 18523 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 545 | 11 | 4 | 7 | 4.2 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(I)c1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL127428 | 18523 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 545 | 11 | 4 | 7 | 4.2 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(I)c1 | 10.1016/s0960-894x(00)00669-7 | |||
46881651 | 6859 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1084137 | 6859 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
46881753 | 7263 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 443 | 10 | 3 | 6 | 3.4 | Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc21 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1085929 | 7263 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 443 | 10 | 3 | 6 | 3.4 | Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc21 | 10.1016/j.bmcl.2010.01.130 | |||
2812 | 4777 | 101 | None | -38 | 34 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
CHEMBL104 | 4777 | 101 | None | -38 | 34 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
5806 | 103176 | 20 | None | 1 | 3 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01215 | |||
CHEMBL30816 | 103176 | 20 | None | 1 | 3 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01215 | |||
5806 | 103176 | 20 | None | - | 3 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | |||
CHEMBL30816 | 103176 | 20 | None | - | 3 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | |||
24901141 | 70537 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1947157 | 70537 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
12582 | 949 | 45 | None | -3 | 5 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
2783 | 949 | 45 | None | -3 | 5 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
CHEMBL49080 | 949 | 45 | None | -3 | 5 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
DB01407 | 949 | 45 | None | -3 | 5 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
44338637 | 109523 | 0 | None | - | 0 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 346 | 7 | 2 | 5 | 2.8 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
CHEMBL322130 | 109523 | 0 | None | - | 0 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 346 | 7 | 2 | 5 | 2.8 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
10416656 | 18607 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3c(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL127656 | 18607 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3c(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
9831168 | 204700 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
CHEMBL74085 | 204700 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
12017012 | 99820 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 622 | 12 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL285520 | 99820 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 622 | 12 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
44338131 | 108663 | 0 | None | - | 0 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 360 | 6 | 2 | 5 | 3.2 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
CHEMBL320761 | 108663 | 0 | None | - | 0 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 360 | 6 | 2 | 5 | 3.2 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
83111 | 57372 | 84 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | |||
CHEMBL165175 | 57372 | 84 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | |||
415628 | 208190 | 95 | None | - | 5 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
CHEMBL9841 | 208190 | 95 | None | - | 5 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
46881981 | 5738 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCn1cccc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1078395 | 5738 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCn1cccc1 | 10.1016/j.bmcl.2010.01.130 | |||
46845698 | 5780 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1078696 | 5780 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
10464801 | 11211 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178754 | 11211 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL39682 | 11211 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
16049160 | 64089 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 15 | 5 | 8 | 3.3 | CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807825 | 64089 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 15 | 5 | 8 | 3.3 | CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | |||
16049234 | 64092 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807828 | 64092 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
16049374 | 64097 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807869 | 64097 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
24900811 | 70362 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945040 | 70362 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
57401436 | 70399 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945504 | 70399 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
4189 | 206920 | 96 | None | -38 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL1559 | 206920 | 96 | None | -38 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL91 | 206920 | 96 | None | -38 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
3198 | 205511 | 76 | None | -38 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 205511 | 76 | None | -38 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 205511 | 76 | None | -38 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
10054896 | 114137 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL33292 | 114137 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
12049918 | 102208 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 624 | 12 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL302893 | 102208 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 624 | 12 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
44307379 | 203644 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 11 | 3 | 6 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL67251 | 203644 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 11 | 3 | 6 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00381-3 | |||
44307378 | 203798 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 478 | 11 | 3 | 7 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL68334 | 203798 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 478 | 11 | 3 | 7 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00381-3 | |||
44338562 | 9426 | 0 | None | - | 0 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 482 | 11 | 2 | 7 | 4.1 | COc1cc(CCNCC(O)CO/N=C2/c3ccccc3C3CCCCCC23OC)cc(OC)c1 | 10.1021/jm00122a008 | |||
CHEMBL111706 | 9426 | 0 | None | - | 0 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 482 | 11 | 2 | 7 | 4.1 | COc1cc(CCNCC(O)CO/N=C2/c3ccccc3C3CCCCCC23OC)cc(OC)c1 | 10.1021/jm00122a008 | |||
44301842 | 198869 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 606 | 11 | 3 | 7 | 6.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL58407 | 198869 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 606 | 11 | 3 | 7 | 6.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
80447 | 57226 | 119 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 207 | 2 | 1 | 4 | 1.0 | O=[N+]([O-])c1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL165012 | 57226 | 119 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 207 | 2 | 1 | 4 | 1.0 | O=[N+]([O-])c1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
46881899 | 7785 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1089395 | 7785 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
255 | 512 | 111 | None | -5 | 12 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
548 | 512 | 111 | None | -5 | 12 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
76332892 | 105912 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 528 | 7 | 3 | 6 | 5.4 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | |||
CHEMBL3128185 | 105912 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 528 | 7 | 3 | 6 | 5.4 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | |||
10375227 | 11215 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178761 | 11215 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL39873 | 11215 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
10012704 | 11219 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178768 | 11219 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL39987 | 11219 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
44268308 | 18107 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 12 | 4 | 7 | 2.8 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12686 | 18107 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 12 | 4 | 7 | 2.8 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
46881698 | 7166 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 10 | 3 | 5 | 2.9 | O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1085444 | 7166 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 10 | 3 | 5 | 2.9 | O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
44298288 | 101581 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 441 | 9 | 1 | 5 | 5.8 | CCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL298594 | 101581 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 441 | 9 | 1 | 5 | 5.8 | CCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
44298515 | 195846 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 5.1 | CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL55852 | 195846 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 5.1 | CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
44457929 | 84775 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | |||
CHEMBL22318 | 84775 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | |||
91965 | 208028 | 96 | None | - | 2 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
CHEMBL9746 | 208028 | 96 | None | - | 2 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
145946965 | 167594 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2c(OCC(O)CN3CCN(c4ccccn4)CC3)cccc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4126588 | 167594 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2c(OCC(O)CN3CCN(c4ccccn4)CC3)cccc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4300897 | 167594 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2c(OCC(O)CN3CCN(c4ccccn4)CC3)cccc12 | 10.1016/j.bmc.2018.04.038 | |||
2464 | 3638 | 58 | None | -2 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
5253 | 3638 | 58 | None | -2 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
7297 | 3638 | 58 | None | -2 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
CHEMBL471 | 3638 | 58 | None | -2 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
DB00489 | 3638 | 58 | None | -2 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
44268249 | 19512 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 331 | 9 | 4 | 5 | 2.4 | C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12994 | 19512 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 331 | 9 | 4 | 5 | 2.4 | C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44268495 | 25028 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 612 | 19 | 6 | 7 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL13467 | 25028 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 612 | 19 | 6 | 7 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44268496 | 98373 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 13 | 6 | 7 | 3.3 | CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL275291 | 98373 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 13 | 6 | 7 | 3.3 | CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44268320 | 18424 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 456 | 11 | 4 | 6 | 3.1 | Cc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12718 | 18424 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 456 | 11 | 4 | 6 | 3.1 | Cc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44301618 | 199079 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 574 | 11 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL58798 | 199079 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 574 | 11 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
46881618 | 8012 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1090746 | 8012 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
44298769 | 197105 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 457 | 12 | 1 | 5 | 6.6 | CCCCCCCCc1csc(N(C)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL56767 | 197105 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 457 | 12 | 1 | 5 | 6.6 | CCCCCCCCc1csc(N(C)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
97478 | 9927 | 100 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL114478 | 9927 | 100 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
10103956 | 11198 | 0 | None | - | 2 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178707 | 11198 | 0 | None | - | 2 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL38114 | 11198 | 0 | None | - | 2 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
9990035 | 12019 | 0 | None | - | 2 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL1183337 | 12019 | 0 | None | - | 2 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL291115 | 12019 | 0 | None | - | 2 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
16049450 | 64091 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807827 | 64091 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
56670158 | 64094 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 13 | 5 | 7 | 2.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC[S+]([O-])CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807830 | 64094 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 13 | 5 | 7 | 2.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC[S+]([O-])CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
24901210 | 70326 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1944690 | 70326 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
24900685 | 70355 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945033 | 70355 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
24901283 | 70380 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945292 | 70380 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
10282871 | 16547 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3cc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL123745 | 16547 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3cc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
44335534 | 4824 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 559 | 13 | 5 | 6 | 4.1 | O=C(NCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL104193 | 4824 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 559 | 13 | 5 | 6 | 4.1 | O=C(NCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44338543 | 5939 | 0 | None | - | 0 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 6 | 2 | 5 | 3.6 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
CHEMBL107981 | 5939 | 0 | None | - | 0 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 6 | 2 | 5 | 3.6 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
131847 | 56076 | 7 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL162513 | 56076 | 7 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
44301819 | 101060 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 612 | 11 | 3 | 7 | 6.8 | CC(C)(C)c1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL294753 | 101060 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 612 | 11 | 3 | 7 | 6.8 | CC(C)(C)c1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
208932 | 13555 | 8 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
CHEMBL1193886 | 13555 | 8 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
CHEMBL545363 | 13555 | 8 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
44281531 | 100520 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 601 | 13 | 3 | 9 | 5.1 | CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL291246 | 100520 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 601 | 13 | 3 | 9 | 5.1 | CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
46881796 | 5596 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 401 | 8 | 3 | 6 | 2.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1077273 | 5596 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 401 | 8 | 3 | 6 | 2.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12 | 10.1016/j.bmcl.2010.01.130 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2010.07.034 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2010.07.034 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2010.07.034 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2010.07.034 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2010.07.034 | |||
16118894 | 2241 | 5 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | |||
3467 | 2241 | 5 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL276257 | 2241 | 5 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | |||
16118894 | 2241 | 5 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | |||
3467 | 2241 | 5 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL276257 | 2241 | 5 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | |||
11758172 | 100932 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL293994 | 100932 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
14998849 | 56513 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1cccc(N2CCNC(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)C2)c1 | 10.1021/jm00082a016 | |||
CHEMBL163587 | 56513 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1cccc(N2CCNC(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)C2)c1 | 10.1021/jm00082a016 | |||
11758172 | 100932 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | |||
CHEMBL293994 | 100932 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | |||
46881983 | 5765 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 477 | 9 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1078575 | 5765 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 477 | 9 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
208932 | 13555 | 8 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
CHEMBL1193886 | 13555 | 8 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
CHEMBL545363 | 13555 | 8 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
71612644 | 133361 | 0 | None | 2 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | |||
CHEMBL3704833 | 133361 | 0 | None | 2 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | |||
1016 | 3745 | 78 | None | -43 | 35 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2561 | 3745 | 78 | None | -43 | 35 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2733526 | 3745 | 78 | None | -43 | 35 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
5384 | 3745 | 78 | None | -43 | 35 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL83 | 3745 | 78 | None | -43 | 35 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
DB00675 | 3745 | 78 | None | -43 | 35 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2247 | 505 | 81 | None | -128 | 42 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
249 | 505 | 81 | None | -128 | 42 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
2603 | 505 | 81 | None | -128 | 42 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL296419 | 505 | 81 | None | -128 | 42 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
DB00637 | 505 | 81 | None | -128 | 42 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm701575k | |||
255 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm701575k | |||
548 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm701575k | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm701575k | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm701575k | |||
1786 | 2518 | 85 | None | -1 | 11 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
4171 | 2518 | 85 | None | -1 | 11 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
553 | 2518 | 85 | None | -1 | 11 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
CHEMBL13 | 2518 | 85 | None | -1 | 11 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
DB00264 | 2518 | 85 | None | -1 | 11 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
145946488 | 167535 | 0 | None | -46 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4127540 | 167535 | 0 | None | -46 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4300195 | 167535 | 0 | None | -46 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
145947665 | 167680 | 0 | None | 10 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4128794 | 167680 | 0 | None | 10 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4302144 | 167680 | 0 | None | 10 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
9933039 | 163043 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL417613 | 163043 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | |||
44349356 | 116982 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL338748 | 116982 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(00)00669-7 | |||
10627736 | 116994 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 | 10.1021/jm000286i | |||
CHEMBL338794 | 116994 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 | 10.1021/jm000286i | |||
44312924 | 164824 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | |||
CHEMBL421871 | 164824 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | |||
9826638 | 203297 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 484 | 12 | 4 | 7 | 3.2 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL64760 | 203297 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 484 | 12 | 4 | 7 | 3.2 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44298695 | 100933 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 414 | 10 | 1 | 3 | 5.1 | CCCCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL294008 | 100933 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 414 | 10 | 1 | 3 | 5.1 | CCCCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
44298843 | 196661 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1ccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)nc1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL56449 | 196661 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1ccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)nc1 | 10.1016/s0960-894x(99)00277-2 | |||
10347866 | 85005 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL22386 | 85005 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
10347866 | 85005 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL22386 | 85005 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | |||
14664347 | 13629 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 474 | 12 | 2 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | |||
CHEMBL11944 | 13629 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 474 | 12 | 2 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | |||
44276727 | 97312 | 0 | None | - | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | |||
CHEMBL26917 | 97312 | 0 | None | - | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | |||
24900426 | 70359 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945037 | 70359 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
24901285 | 70385 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 545 | 11 | 5 | 6 | 5.2 | CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945297 | 70385 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 545 | 11 | 5 | 6 | 5.2 | CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2011.10.049 | |||
44268464 | 19409 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 17 | 5 | 8 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL12939 | 19409 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 17 | 5 | 8 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44268520 | 21237 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 591 | 14 | 5 | 8 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)OCc1ccccc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL13132 | 21237 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 591 | 14 | 5 | 8 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)OCc1ccccc1 | 10.1016/s0960-894x(98)00170-x | |||
10746499 | 114456 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1 | 10.1021/jm000286i | |||
CHEMBL333417 | 114456 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1 | 10.1021/jm000286i | |||
46882084 | 5779 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1078695 | 5779 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
46881901 | 7843 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1089734 | 7843 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
12017007 | 158376 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL40898 | 158376 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
44338579 | 163300 | 0 | None | - | 0 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 364 | 7 | 2 | 5 | 3.0 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
CHEMBL418819 | 163300 | 0 | None | - | 0 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 364 | 7 | 2 | 5 | 3.0 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
44301979 | 100860 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cnc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL293577 | 100860 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cnc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
7096 | 207476 | 119 | None | -21 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 162 | 1 | 1 | 2 | 1.1 | c1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL9434 | 207476 | 119 | None | -21 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 162 | 1 | 1 | 2 | 1.1 | c1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
46845699 | 5802 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(N2CCCC2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1078876 | 5802 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(N2CCCC2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
46881573 | 8271 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1092502 | 8271 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
14739897 | 208334 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1cccc(OCC(O)CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 | 10.1021/jm00172a033 | |||
CHEMBL99331 | 208334 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1cccc(OCC(O)CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 | 10.1021/jm00172a033 | |||
36811 | 1453 | 37 | None | -109 | 7 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
535 | 1453 | 37 | None | -109 | 7 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
937 | 1453 | 37 | None | -109 | 7 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
CHEMBL926 | 1453 | 37 | None | -109 | 7 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
DB00841 | 1453 | 37 | None | -109 | 7 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
1054 | 1584 | 54 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
59768 | 1584 | 54 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
7178 | 1584 | 54 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
CHEMBL768 | 1584 | 54 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
DB00187 | 1584 | 54 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
12043157 | 116748 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL33755 | 116748 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
24900749 | 70379 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945291 | 70379 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
57400229 | 70386 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945298 | 70386 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
10346448 | 119828 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | |||
CHEMBL348501 | 119828 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | |||
70683107 | 73101 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1ccc(F)cc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)cc1 | 10.1021/ml1002458 | |||
CHEMBL2011221 | 73101 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1ccc(F)cc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)cc1 | 10.1021/ml1002458 | |||
70693599 | 73103 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 416 | 11 | 4 | 6 | 2.2 | CCOc1ccc(NC(=O)NCCNC[C@H](O)COc2cccc(F)c2C#N)cc1 | 10.1021/ml1002458 | |||
CHEMBL2011223 | 73103 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 416 | 11 | 4 | 6 | 2.2 | CCOc1ccc(NC(=O)NCCNC[C@H](O)COc2cccc(F)c2C#N)cc1 | 10.1021/ml1002458 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
33624 | 3819 | 34 | None | -6 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
4061 | 3819 | 34 | None | -6 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
565 | 3819 | 34 | None | -6 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
CHEMBL499 | 3819 | 34 | None | -6 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
DB00373 | 3819 | 34 | None | -6 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
70680983 | 73111 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 348 | 8 | 3 | 6 | -0.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)N1CCOCC1 | 10.1021/ml1002458 | |||
CHEMBL2011232 | 73111 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 348 | 8 | 3 | 6 | -0.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)N1CCOCC1 | 10.1021/ml1002458 | |||
3931 | 2246 | 48 | None | -3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | |||
9829836 | 2246 | 48 | None | -3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL12998 | 2246 | 48 | None | -3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | |||
44268604 | 36622 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 598 | 18 | 6 | 7 | 4.9 | CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL144870 | 36622 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 598 | 18 | 6 | 7 | 4.9 | CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44285529 | 150916 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.1 | CCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL39577 | 150916 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.1 | CCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
44335618 | 4785 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 497 | 12 | 5 | 6 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL104061 | 4785 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 497 | 12 | 5 | 6 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44335560 | 5313 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 469 | 10 | 5 | 6 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL106746 | 5313 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 469 | 10 | 5 | 6 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44335589 | 109386 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 540 | 15 | 4 | 7 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL321957 | 109386 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 540 | 15 | 4 | 7 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
1346 | 83 | 117 | None | - | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
280 | 83 | 117 | None | - | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
9899402 | 83 | 117 | None | - | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
CHEMBL9666 | 83 | 117 | None | - | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
1355 | 2009 | 88 | None | - | 16 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | |||
142 | 2009 | 88 | None | - | 16 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | |||
CHEMBL478 | 2009 | 88 | None | - | 16 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | |||
DB12110 | 2009 | 88 | None | - | 16 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | |||
10438390 | 203400 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL65513 | 203400 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
44281344 | 99842 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 628 | 14 | 4 | 10 | 4.3 | CC(=O)Nc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL285704 | 99842 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 628 | 14 | 4 | 10 | 4.3 | CC(=O)Nc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44281255 | 115492 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL33515 | 115492 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44281384 | 119310 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 601 | 14 | 3 | 10 | 4.4 | COc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL34406 | 119310 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 601 | 14 | 3 | 10 | 4.4 | COc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44281467 | 119364 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 648 | 14 | 4 | 10 | 3.8 | CS(=O)(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL34441 | 119364 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 648 | 14 | 4 | 10 | 3.8 | CS(=O)(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44281468 | 161880 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 623 | 12 | 3 | 8 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL415039 | 161880 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 623 | 12 | 3 | 8 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44377513 | 56508 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL163531 | 56508 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
44461717 | 105678 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 577 | 15 | 3 | 8 | 4.6 | CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL312546 | 105678 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 577 | 15 | 3 | 8 | 4.6 | CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
44461716 | 205310 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 605 | 17 | 3 | 8 | 5.4 | CCCCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL79363 | 205310 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 605 | 17 | 3 | 8 | 5.4 | CCCCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
44281276 | 99816 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 549 | 15 | 3 | 8 | 4.9 | CCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL285481 | 99816 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 549 | 15 | 3 | 8 | 4.9 | CCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
44281277 | 100176 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 563 | 16 | 3 | 8 | 5.3 | CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL288083 | 100176 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 563 | 16 | 3 | 8 | 5.3 | CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
44377637 | 55529 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 633 | 14 | 3 | 6 | 5.3 | O=C1N(CCCc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL162043 | 55529 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 633 | 14 | 3 | 6 | 5.3 | O=C1N(CCCc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
10841426 | 116870 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 610 | 11 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | |||
CHEMBL338216 | 116870 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 610 | 11 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | |||
9832011 | 105479 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
CHEMBL312074 | 105479 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
44307063 | 203332 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 505 | 11 | 3 | 6 | 3.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL64935 | 203332 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 505 | 11 | 3 | 6 | 3.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44306979 | 203693 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 11 | 4 | 7 | 2.7 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL67534 | 203693 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 11 | 4 | 7 | 2.7 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
44306985 | 203717 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 11 | 4 | 7 | 2.2 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL67672 | 203717 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 11 | 4 | 7 | 2.2 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
12017005 | 100267 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(CCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL288917 | 100267 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(CCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
12017014 | 100311 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 608 | 12 | 3 | 7 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL289316 | 100311 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 608 | 12 | 3 | 7 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
44285225 | 153574 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 562 | 13 | 3 | 7 | 5.8 | CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL39804 | 153574 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 562 | 13 | 3 | 7 | 5.8 | CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
44268327 | 98297 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL274807 | 98297 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | |||
44335497 | 4820 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 397 | 9 | 3 | 5 | 2.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL104180 | 4820 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 397 | 9 | 3 | 5 | 2.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00571-x | |||
10416448 | 203391 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 622 | 12 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL65461 | 203391 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 622 | 12 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
70693598 | 73100 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1c(F)cccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)cc1 | 10.1021/ml1002458 | |||
CHEMBL2011220 | 73100 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1c(F)cccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)cc1 | 10.1021/ml1002458 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.03.006 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.03.006 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.03.006 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.03.006 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.03.006 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.11.014 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.11.014 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.11.014 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.11.014 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.11.014 | |||
44280904 | 99959 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 632 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(-c4ccccn4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL286438 | 99959 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 632 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(-c4ccccn4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
12017006 | 100395 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 608 | 11 | 3 | 7 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL290053 | 100395 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 608 | 11 | 3 | 7 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
10483845 | 203070 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 608 | 11 | 3 | 8 | 5.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL63760 | 203070 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 608 | 11 | 3 | 8 | 5.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
14664345 | 13251 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 460 | 12 | 2 | 8 | 1.7 | CN(c1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1)S(C)(=O)=O | 10.1021/jm00166a002 | |||
CHEMBL1191442 | 13251 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 460 | 12 | 2 | 8 | 1.7 | CN(c1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1)S(C)(=O)=O | 10.1021/jm00166a002 | |||
CHEMBL542544 | 13251 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 460 | 12 | 2 | 8 | 1.7 | CN(c1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1)S(C)(=O)=O | 10.1021/jm00166a002 | |||
44268534 | 19362 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 529 | 13 | 5 | 8 | 3.3 | CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL12911 | 19362 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 529 | 13 | 5 | 8 | 3.3 | CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44268478 | 162812 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 561 | 13 | 5 | 7 | 4.0 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL417250 | 162812 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 561 | 13 | 5 | 7 | 4.0 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00170-x | |||
44298851 | 100552 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 463 | 11 | 1 | 4 | 6.5 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL291467 | 100552 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 463 | 11 | 1 | 4 | 6.5 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
448537 | 160248 | 89 | None | -50 | 25 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
CHEMBL411 | 160248 | 89 | None | -50 | 25 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
14998850 | 119991 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 | 10.1021/jm00082a016 | |||
CHEMBL349978 | 119991 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 | 10.1021/jm00082a016 | |||
9871525 | 16909 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1cccc(I)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL125168 | 16909 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1cccc(I)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
14998852 | 55676 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL162182 | 55676 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
9810596 | 16797 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 734 | 11 | 4 | 9 | 8.0 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc2cc(CCNC[C@H](O)c3cccnc3)ccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL124597 | 16797 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 734 | 11 | 4 | 9 | 8.0 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc2cc(CCNC[C@H](O)c3cccnc3)ccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
10371216 | 99745 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL285001 | 99745 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
3038500 | 9338 | 12 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
CHEMBL111201 | 9338 | 12 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
3038500 | 9338 | 12 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL111201 | 9338 | 12 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
25020250 | 15434 | 12 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 388 | 4 | 2 | 6 | 3.8 | c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1 | 10.1021/jm100075z | |||
CHEMBL1214998 | 15434 | 12 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 388 | 4 | 2 | 6 | 3.8 | c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1 | 10.1021/jm100075z | |||
10206782 | 16853 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 10 | 4 | 6 | 4.9 | N#CN/C(=N\c1cccc(Oc2ccccc2)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL124863 | 16853 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 10 | 4 | 6 | 4.9 | N#CN/C(=N\c1cccc(Oc2ccccc2)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
44268479 | 20887 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 543 | 13 | 5 | 8 | 3.7 | CC(C)OC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL13106 | 20887 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 543 | 13 | 5 | 8 | 3.7 | CC(C)OC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
10054165 | 84774 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 591 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL22317 | 84774 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 591 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
31101 | 728 | 40 | None | -245 | 36 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
35 | 728 | 40 | None | -245 | 36 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
403 | 728 | 40 | None | -245 | 36 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
CHEMBL493 | 728 | 40 | None | -245 | 36 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
DB01200 | 728 | 40 | None | -245 | 36 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
46881982 | 5750 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1078465 | 5750 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
130400 | 208383 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
CHEMBL552615 | 208383 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
CHEMBL99585 | 208383 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
12017011 | 100363 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL289689 | 100363 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
14739889 | 207767 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 364 | 9 | 3 | 5 | 1.9 | Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1 | 10.1021/jm00172a033 | |||
CHEMBL95966 | 207767 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 364 | 9 | 3 | 5 | 1.9 | Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1 | 10.1021/jm00172a033 | |||
130400 | 208383 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
CHEMBL552615 | 208383 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
CHEMBL99585 | 208383 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
44281424 | 100304 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 587 | 12 | 3 | 9 | 4.2 | O=C(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL289249 | 100304 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 587 | 12 | 3 | 9 | 4.2 | O=C(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
44268367 | 20835 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 1.9 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL13102 | 20835 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 1.9 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44268556 | 24133 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 12 | 5 | 8 | 2.9 | COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL13389 | 24133 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 12 | 5 | 8 | 2.9 | COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
11342656 | 202657 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 634 | 13 | 3 | 7 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL61429 | 202657 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 634 | 13 | 3 | 7 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
12049920 | 102630 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL304298 | 102630 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
10258518 | 101949 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 633 | 17 | 3 | 8 | 6.8 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL301231 | 101949 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 633 | 17 | 3 | 8 | 6.8 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
44281372 | 100116 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 621 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL287562 | 100116 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 621 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44461705 | 205853 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL83698 | 205853 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
10841171 | 117022 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1 | 10.1021/jm000286i | |||
CHEMBL338976 | 117022 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1 | 10.1021/jm000286i | |||
44298823 | 101277 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 462 | 11 | 1 | 3 | 7.1 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL296380 | 101277 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 462 | 11 | 1 | 3 | 7.1 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | |||
44281074 | 115127 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CCC(=O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL33438 | 115127 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CCC(=O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
16049090 | 64087 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 447 | 13 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807823 | 64087 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 447 | 13 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
24901211 | 70329 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1944693 | 70329 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
2810 | 67600 | 55 | None | -1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | |||
CHEMBL1902627 | 67600 | 55 | None | -1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | |||
70691508 | 73109 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 9 | 4 | 7 | 1.2 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1nccs1 | 10.1021/ml1002458 | |||
CHEMBL2011229 | 73109 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 9 | 4 | 7 | 1.2 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1nccs1 | 10.1021/ml1002458 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
44268571 | 24629 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 582 | 13 | 6 | 7 | 4.2 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL13432 | 24629 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 582 | 13 | 6 | 7 | 4.2 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(98)00170-x | |||
12049922 | 102739 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL304991 | 102739 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
12049916 | 202992 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 576 | 11 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL63138 | 202992 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 576 | 11 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
44281408 | 113312 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 646 | 13 | 4 | 10 | 4.4 | COC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL33155 | 113312 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 646 | 13 | 4 | 10 | 4.4 | COC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
10651078 | 17940 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1 | 10.1021/jm000286i | |||
CHEMBL125963 | 17940 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1 | 10.1021/jm000286i | |||
14664348 | 12848 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 12 | 3 | 8 | 2.4 | CC(C)(COc1ccc(-n2ccnc2)cc1)NCC(O)COc1ccc(NS(C)(=O)=O)cc1 | 10.1021/jm00166a002 | |||
CHEMBL1188606 | 12848 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 12 | 3 | 8 | 2.4 | CC(C)(COc1ccc(-n2ccnc2)cc1)NCC(O)COc1ccc(NS(C)(=O)=O)cc1 | 10.1021/jm00166a002 | |||
CHEMBL536800 | 12848 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 12 | 3 | 8 | 2.4 | CC(C)(COc1ccc(-n2ccnc2)cc1)NCC(O)COc1ccc(NS(C)(=O)=O)cc1 | 10.1021/jm00166a002 | |||
44298533 | 195002 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 11 | 1 | 5 | 6.5 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL54821 | 195002 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 11 | 1 | 5 | 6.5 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
14998853 | 120124 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL351183 | 120124 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | |||
12043155 | 99740 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 549 | 14 | 3 | 8 | 4.8 | CC(C)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL284965 | 99740 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 549 | 14 | 3 | 8 | 4.8 | CC(C)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
10081581 | 11197 | 0 | None | 2 | 2 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
CHEMBL1178704 | 11197 | 0 | None | 2 | 2 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
CHEMBL38033 | 11197 | 0 | None | 2 | 2 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
10081581 | 11197 | 0 | None | - | 2 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178704 | 11197 | 0 | None | - | 2 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL38033 | 11197 | 0 | None | - | 2 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
44377753 | 119928 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 4.0 | O=c1n(Cc2ccc(F)c(F)c2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL349505 | 119928 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 4.0 | O=c1n(Cc2ccc(F)c(F)c2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
44338499 | 108634 | 0 | None | - | 0 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 346 | 5 | 3 | 5 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12O | 10.1021/jm00122a008 | |||
CHEMBL320704 | 108634 | 0 | None | - | 0 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 346 | 5 | 3 | 5 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12O | 10.1021/jm00122a008 | |||
14664343 | 11104 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 12 | 3 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | |||
CHEMBL11629 | 11104 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 12 | 3 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | |||
CHEMBL1178024 | 11104 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 12 | 3 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | |||
12049921 | 203575 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL66789 | 203575 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
2447484 | 102766 | 2 | None | - | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
CHEMBL305153 | 102766 | 2 | None | - | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
10205362 | 116952 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 468 | 8 | 4 | 5 | 4.4 | N#CN/C(=N\c1cc(Cl)cc(Cl)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL338618 | 116952 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 468 | 8 | 4 | 5 | 4.4 | N#CN/C(=N\c1cc(Cl)cc(Cl)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
44306956 | 203345 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 495 | 11 | 3 | 6 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL65042 | 203345 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 495 | 11 | 3 | 6 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00381-3 | |||
72548703 | 161565 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
CHEMBL4128926 | 161565 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
70695718 | 73113 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 372 | 10 | 3 | 6 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCCC(=O)Nc1ccc(F)nc1 | 10.1021/ml1002458 | |||
CHEMBL2011234 | 73113 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 372 | 10 | 3 | 6 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCCC(=O)Nc1ccc(F)nc1 | 10.1021/ml1002458 | |||
16049026 | 64085 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 432 | 13 | 4 | 7 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807821 | 64085 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 432 | 13 | 4 | 7 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
16049029 | 64086 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 482 | 13 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807822 | 64086 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 482 | 13 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
16049028 | 64083 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 14 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807819 | 64083 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 14 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
44268568 | 24933 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 570 | 16 | 6 | 7 | 4.1 | CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL13459 | 24933 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 570 | 16 | 6 | 7 | 4.1 | CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44338529 | 108633 | 0 | None | - | 0 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 360 | 7 | 2 | 5 | 3.2 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
CHEMBL320696 | 108633 | 0 | None | - | 0 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 360 | 7 | 2 | 5 | 3.2 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
44301803 | 167804 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 588 | 12 | 3 | 7 | 5.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL430594 | 167804 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 588 | 12 | 3 | 7 | 5.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
14998846 | 56383 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 374 | 7 | 3 | 5 | 1.6 | CS(=O)(=O)Nc1ccc(CNCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL163153 | 56383 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 374 | 7 | 3 | 5 | 1.6 | CS(=O)(=O)Nc1ccc(CNCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
12049919 | 203097 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL63963 | 203097 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
44349323 | 16794 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 11 | 4 | 7 | 3.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(F)c1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL124584 | 16794 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 11 | 4 | 7 | 3.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(F)c1 | 10.1016/s0960-894x(00)00669-7 | |||
44281530 | 99818 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL285499 | 99818 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
9938030 | 100023 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL286859 | 100023 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44281425 | 100305 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 612 | 13 | 4 | 9 | 4.3 | CC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL289250 | 100305 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 612 | 13 | 4 | 9 | 4.3 | CC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44377687 | 57442 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 579 | 16 | 3 | 6 | 5.0 | CCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL165513 | 57442 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 579 | 16 | 3 | 6 | 5.0 | CCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
46881700 | 6861 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1c(=O)ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1084144 | 6861 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1c(=O)ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
46881529 | 7260 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 375 | 9 | 3 | 4 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1085898 | 7260 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 375 | 9 | 3 | 4 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
12017001 | 147043 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 540 | 11 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL39269 | 147043 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 540 | 11 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
44298850 | 168181 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 461 | 8 | 1 | 4 | 6.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL433252 | 168181 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 461 | 8 | 1 | 4 | 6.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
44298281 | 194727 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 463 | 6 | 1 | 3 | 4.9 | CN(C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21)C(C)(C)Cc1ccccc1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL53517 | 194727 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 463 | 6 | 1 | 3 | 4.9 | CN(C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21)C(C)(C)Cc1ccccc1 | 10.1016/s0960-894x(99)00277-2 | |||
44335499 | 4990 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 439 | 10 | 3 | 5 | 3.9 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL104981 | 4990 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 439 | 10 | 3 | 5 | 3.9 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44335651 | 108557 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 431 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL320228 | 108557 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 431 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44302005 | 100559 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 595 | 11 | 4 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL291516 | 100559 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 595 | 11 | 4 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
44280957 | 112549 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 590 | 13 | 3 | 9 | 3.4 | O=C(CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1)N1CCCC1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL32996 | 112549 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 590 | 13 | 3 | 9 | 3.4 | O=C(CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1)N1CCCC1 | 10.1016/s0960-894x(00)00267-5 | |||
11819522 | 12014 | 0 | None | - | 2 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL1183318 | 12014 | 0 | None | - | 2 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL290153 | 12014 | 0 | None | - | 2 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
46881574 | 7781 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1cc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1089386 | 7781 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1cc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
14998847 | 55578 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL162095 | 55578 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | |||
12017003 | 141928 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL38704 | 141928 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
319 | 1323 | 44 | None | -154 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
321 | 1323 | 44 | None | -154 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
444031 | 1323 | 44 | None | -154 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
72054 | 1323 | 44 | None | -154 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
784 | 1323 | 44 | None | -154 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1346 | 1323 | 44 | None | -154 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
DB00496 | 1323 | 44 | None | -154 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
4183 | 2023 | 68 | None | -2 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | |||
6918554 | 2023 | 68 | None | -2 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | |||
7455 | 2023 | 68 | None | -2 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1095777 | 2023 | 68 | None | -2 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | |||
DB05039 | 2023 | 68 | None | -2 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | |||
24901351 | 70330 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1944694 | 70330 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
24901413 | 70354 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945032 | 70354 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
24900937 | 70382 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945294 | 70382 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
57401435 | 70398 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945503 | 70398 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | |||
44298314 | 101158 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 452 | 8 | 1 | 6 | 5.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL295502 | 101158 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 452 | 8 | 1 | 6 | 5.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
11556330 | 163209 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL418308 | 163209 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
14998851 | 120058 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 361 | 6 | 2 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL350581 | 120058 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 361 | 6 | 2 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
567 | 724 | 16 | None | - | 5 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | |||
9841972 | 724 | 16 | None | - | 5 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | |||
CHEMBL284782 | 724 | 16 | None | - | 5 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | |||
14739901 | 207733 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1ccccc1OCC(O)CN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 | 10.1021/jm00172a033 | |||
CHEMBL95754 | 207733 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1ccccc1OCC(O)CN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 | 10.1021/jm00172a033 | |||
14739893 | 4276 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 416 | 10 | 3 | 7 | 1.8 | CS(=O)(=O)Nc1ccc(OCC(O)CNCc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
CHEMBL100624 | 4276 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 416 | 10 | 3 | 7 | 1.8 | CS(=O)(=O)Nc1ccc(OCC(O)CNCc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
1499 | 2089 | 47 | None | -53 | 17 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
3779 | 2089 | 47 | None | -53 | 17 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
536 | 2089 | 47 | None | -53 | 17 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
CHEMBL434 | 2089 | 47 | None | -53 | 17 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
DB01064 | 2089 | 47 | None | -53 | 17 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
12828562 | 109704 | 0 | None | - | 2 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
CHEMBL322842 | 109704 | 0 | None | - | 2 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
44338613 | 111375 | 0 | None | - | 0 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 360 | 5 | 3 | 5 | 2.9 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12O | 10.1021/jm00122a008 | |||
CHEMBL327091 | 111375 | 0 | None | - | 0 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 360 | 5 | 3 | 5 | 2.9 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12O | 10.1021/jm00122a008 | |||
44268563 | 97183 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.7 | CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL268289 | 97183 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.7 | CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
46881699 | 5591 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1077238 | 5591 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
9873257 | 84943 | 16 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | |||
CHEMBL22375 | 84943 | 16 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | |||
44268632 | 24225 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 514 | 12 | 6 | 7 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL13398 | 24225 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 514 | 12 | 6 | 7 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44285634 | 100406 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 576 | 17 | 3 | 7 | 6.3 | CCCCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL290131 | 100406 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 576 | 17 | 3 | 7 | 6.3 | CCCCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
44281097 | 114731 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL33384 | 114731 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
2291 | 3182 | 58 | None | -11 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
2561 | 3182 | 58 | None | -11 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
4932 | 3182 | 58 | None | -11 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
CHEMBL631 | 3182 | 58 | None | -11 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
DB01182 | 3182 | 58 | None | -11 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
11811722 | 10063 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 413 | 5 | 1 | 4 | 4.4 | O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 | 10.1021/jm010878g | |||
CHEMBL115280 | 10063 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 413 | 5 | 1 | 4 | 4.4 | O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 | 10.1021/jm010878g | |||
46881701 | 6862 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 477 | 9 | 3 | 8 | 3.0 | Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1084145 | 6862 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 477 | 9 | 3 | 8 | 3.0 | Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C | 10.1016/j.bmcl.2010.01.130 | |||
44281400 | 110357 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL32411 | 110357 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
2369 | 621 | 80 | None | 3 | 8 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | |||
356 | 621 | 80 | None | 3 | 8 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | |||
549 | 621 | 80 | None | 3 | 8 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | |||
CHEMBL423 | 621 | 80 | None | 3 | 8 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | |||
DB00195 | 621 | 80 | None | 3 | 8 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | |||
121848 | 130708 | 4 | None | - | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
CHEMBL368457 | 130708 | 4 | None | - | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
21138 | 98449 | 39 | None | -4 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | |||
CHEMBL275742 | 98449 | 39 | None | -4 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | |||
44301832 | 201073 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 592 | 17 | 3 | 7 | 6.8 | CCCCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL60281 | 201073 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 592 | 17 | 3 | 7 | 6.8 | CCCCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
44285692 | 137225 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)co1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL37512 | 137225 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)co1 | 10.1016/s0960-894x(00)00277-8 | |||
44267518 | 13322 | 1 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
CHEMBL1192069 | 13322 | 1 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
CHEMBL543251 | 13322 | 1 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
44349367 | 16919 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 487 | 11 | 4 | 7 | 4.9 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL125246 | 16919 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 487 | 11 | 4 | 7 | 4.9 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(00)00669-7 | |||
83113 | 57432 | 91 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL165462 | 57432 | 91 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
269722 | 199979 | 108 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL59517 | 199979 | 108 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
44267518 | 13322 | 1 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
CHEMBL1192069 | 13322 | 1 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
CHEMBL543251 | 13322 | 1 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
16049309 | 64098 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807870 | 64098 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
56670092 | 64102 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 445 | 13 | 4 | 7 | 2.5 | CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807874 | 64102 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 445 | 13 | 4 | 7 | 2.5 | CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 | 10.1016/j.bmcl.2011.05.097 | |||
24901348 | 70325 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1944689 | 70325 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
24901349 | 70328 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1944692 | 70328 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
24901347 | 70331 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1944695 | 70331 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
137 | 370 | 52 | None | -19 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
2119 | 370 | 52 | None | -19 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
563 | 370 | 52 | None | -19 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
66368 | 370 | 52 | None | -19 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
CHEMBL266195 | 370 | 52 | None | -19 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
DB00866 | 370 | 52 | None | -19 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
15483883 | 100230 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL288550 | 100230 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44281219 | 112012 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 588 | 12 | 4 | 9 | 4.0 | NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL32891 | 112012 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 588 | 12 | 4 | 9 | 4.0 | NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
15523861 | 57523 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 599 | 14 | 3 | 6 | 4.6 | O=C1N(CCCc2ccccc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL166188 | 57523 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 599 | 14 | 3 | 6 | 4.6 | O=C1N(CCCc2ccccc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
44377316 | 120060 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 5.0 | O=C1N(CCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL350590 | 120060 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 5.0 | O=C1N(CCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
46882031 | 5793 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1078749 | 5793 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
44298290 | 168204 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 3.9 | Cc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL433454 | 168204 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 3.9 | Cc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
44298822 | 194994 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 460 | 8 | 1 | 3 | 6.7 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)c1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL54750 | 194994 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 460 | 8 | 1 | 3 | 6.7 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)c1 | 10.1016/s0960-894x(99)00277-2 | |||
44298516 | 195587 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 8 | 1 | 5 | 6.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1nc(CCCC2CCCC2)cs1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL55541 | 195587 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 8 | 1 | 5 | 6.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1nc(CCCC2CCCC2)cs1 | 10.1016/s0960-894x(99)00277-2 | |||
44301764 | 100630 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 564 | 15 | 3 | 7 | 6.0 | CCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL291992 | 100630 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 564 | 15 | 3 | 7 | 6.0 | CCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
12049915 | 102837 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL305558 | 102837 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
44298728 | 194781 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 4.1 | CCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL53842 | 194781 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 4.1 | CCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
44190762 | 176878 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | |||
CHEMBL461571 | 176878 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | |||
46882030 | 5766 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 9 | 4 | 5 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ncc[nH]2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1078576 | 5766 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 9 | 4 | 5 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ncc[nH]2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
1043 | 1580 | 14 | None | -26302 | 29 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
149 | 1580 | 14 | None | -26302 | 29 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
3251 | 1580 | 14 | None | -26302 | 29 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
8223 | 1580 | 14 | None | -26302 | 29 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
CHEMBL1982133 | 1580 | 14 | None | -26302 | 29 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
CHEMBL442 | 1580 | 14 | None | -26302 | 29 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
DB00696 | 1580 | 14 | None | -26302 | 29 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
44298821 | 194993 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 453 | 11 | 1 | 5 | 6.1 | CCCCCCCCc1cnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)o1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL54749 | 194993 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 453 | 11 | 1 | 5 | 6.1 | CCCCCCCCc1cnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)o1 | 10.1016/s0960-894x(99)00277-2 | |||
12017018 | 142336 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 638 | 13 | 3 | 8 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL38861 | 142336 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 638 | 13 | 3 | 8 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
145947927 | 167748 | 0 | None | -16 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4130151 | 167748 | 0 | None | -16 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4302997 | 167748 | 0 | None | -16 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
2447486 | 63058 | 1 | None | - | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
CHEMBL1788270 | 63058 | 1 | None | - | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
76322045 | 105911 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 527 | 7 | 3 | 5 | 6.0 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | |||
CHEMBL3128184 | 105911 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 527 | 7 | 3 | 5 | 6.0 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | |||
176 | 398 | 66 | None | -660 | 31 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157 | 398 | 66 | None | -660 | 31 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2566 | 398 | 66 | None | -660 | 31 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL633 | 398 | 66 | None | -660 | 31 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
DB01118 | 398 | 66 | None | -660 | 31 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
44307340 | 102593 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 470 | 12 | 4 | 7 | 2.6 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL304090 | 102593 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 470 | 12 | 4 | 7 | 2.6 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44281218 | 155709 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 645 | 13 | 5 | 9 | 4.0 | CNC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL405245 | 155709 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 645 | 13 | 5 | 9 | 4.0 | CNC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
44112 | 121288 | 48 | None | -2 | 7 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
CHEMBL357995 | 121288 | 48 | None | -2 | 7 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
44307196 | 203585 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 510 | 11 | 4 | 7 | 3.3 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL66859 | 203585 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 510 | 11 | 4 | 7 | 3.3 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
12017010 | 163199 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 572 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL418234 | 163199 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 572 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
10138809 | 169083 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL439794 | 169083 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
10099346 | 141071 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL38254 | 141071 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
46881900 | 7786 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1089396 | 7786 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
70687348 | 73115 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 393 | 10 | 3 | 6 | 1.0 | N#Cc1ccccc1OC[C@@H](O)CNCCNS(=O)(=O)c1ccccc1F | 10.1021/ml1002458 | |||
CHEMBL2011236 | 73115 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 393 | 10 | 3 | 6 | 1.0 | N#Cc1ccccc1OC[C@@H](O)CNCCNS(=O)(=O)c1ccccc1F | 10.1021/ml1002458 | |||
16049158 | 64088 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 475 | 14 | 5 | 7 | 3.4 | CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807824 | 64088 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 475 | 14 | 5 | 7 | 3.4 | CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | |||
56673609 | 64101 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807873 | 64101 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
24900689 | 70361 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945039 | 70361 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
44268268 | 18649 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12769 | 18649 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | |||
567 | 724 | 16 | None | -13 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | |||
9841972 | 724 | 16 | None | -13 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL284782 | 724 | 16 | None | -13 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | |||
15483880 | 99610 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL28405 | 99610 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44281469 | 100115 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL287561 | 100115 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44308088 | 203595 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL66936 | 203595 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
10099459 | 205694 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL82296 | 205694 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
44377636 | 120096 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 607 | 12 | 3 | 6 | 4.5 | O=C1N(Cc2ccc(F)c(F)c2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL350931 | 120096 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 607 | 12 | 3 | 6 | 4.5 | O=C1N(Cc2ccc(F)c(F)c2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
10099459 | 205694 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL82296 | 205694 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
46881937 | 6762 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 494 | 9 | 3 | 6 | 5.5 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2s1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1083831 | 6762 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 494 | 9 | 3 | 6 | 5.5 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2s1 | 10.1016/j.bmcl.2010.01.130 | |||
44458134 | 84831 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 10 | 3.1 | CCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | |||
CHEMBL22345 | 84831 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 10 | 3.1 | CCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | |||
44301886 | 101077 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 607 | 16 | 4 | 8 | 4.7 | CC(=O)NCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL294849 | 101077 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 607 | 16 | 4 | 8 | 4.7 | CC(=O)NCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
44377665 | 168331 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 567 | 15 | 3 | 7 | 3.4 | COCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL434284 | 168331 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 567 | 15 | 3 | 7 | 3.4 | COCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
2419 | 3461 | 84 | None | -154 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | |||
5152 | 3461 | 84 | None | -154 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | |||
559 | 3461 | 84 | None | -154 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1263 | 3461 | 84 | None | -154 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | |||
DB00938 | 3461 | 84 | None | -154 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | |||
2419 | 3461 | 84 | None | -154 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | |||
5152 | 3461 | 84 | None | -154 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | |||
559 | 3461 | 84 | None | -154 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1263 | 3461 | 84 | None | -154 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | |||
DB00938 | 3461 | 84 | None | -154 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | |||
57398562 | 70358 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945036 | 70358 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | |||
9984028 | 119724 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1021/jm0101500 | |||
CHEMBL347582 | 119724 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1021/jm0101500 | |||
44268498 | 98345 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 612 | 17 | 4 | 7 | 4.8 | CCCCCCN(C)C(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL275114 | 98345 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 612 | 17 | 4 | 7 | 4.8 | CCCCCCN(C)C(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
10075383 | 97103 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL267545 | 97103 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44301617 | 198713 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 640 | 16 | 3 | 7 | 7.7 | CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL58241 | 198713 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 640 | 16 | 3 | 7 | 7.7 | CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
44268470 | 24868 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 527 | 14 | 5 | 7 | 3.5 | CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL13453 | 24868 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 527 | 14 | 5 | 7 | 3.5 | CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44377754 | 119948 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 4.7 | O=c1n(CCCC2CCCC2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL349651 | 119948 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 4.7 | O=c1n(CCCC2CCCC2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
44306959 | 203081 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 520 | 11 | 4 | 7 | 2.8 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL63842 | 203081 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 520 | 11 | 4 | 7 | 2.8 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
14998848 | 120085 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 361 | 5 | 2 | 5 | 2.1 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1 | 10.1021/jm00082a016 | |||
CHEMBL350847 | 120085 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 361 | 5 | 2 | 5 | 2.1 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1 | 10.1021/jm00082a016 | |||
44268605 | 98412 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 542 | 14 | 6 | 7 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL275511 | 98412 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 542 | 14 | 6 | 7 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44280903 | 99958 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL286437 | 99958 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44461718 | 205861 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL83753 | 205861 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
10007337 | 116698 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 535 | 14 | 3 | 8 | 4.5 | CCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL33725 | 116698 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 535 | 14 | 3 | 8 | 4.5 | CCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
12043156 | 168147 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 575 | 14 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL433042 | 168147 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 575 | 14 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
44461718 | 205861 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL83753 | 205861 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | |||
44307333 | 203672 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 12 | 4 | 8 | 2.0 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL67416 | 203672 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 12 | 4 | 8 | 2.0 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44280860 | 99912 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 521 | 13 | 3 | 8 | 4.1 | CCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL286139 | 99912 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 521 | 13 | 3 | 8 | 4.1 | CCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
1588 | 2323 | 27 | None | -151 | 44 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
28864 | 2323 | 27 | None | -151 | 44 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
43 | 2323 | 27 | None | -151 | 44 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
CHEMBL157138 | 2323 | 27 | None | -151 | 44 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
DB00589 | 2323 | 27 | None | -151 | 44 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
12049917 | 203024 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 12 | 3 | 9 | 4.1 | COc1ccc(-c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1F | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL63357 | 203024 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 12 | 3 | 9 | 4.1 | COc1ccc(-c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1F | 10.1016/s0960-894x(00)00422-4 | |||
44281073 | 119204 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CCC(O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL34328 | 119204 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CCC(O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
45482789 | 198923 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | |||
CHEMBL584554 | 198923 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | |||
15523859 | 205931 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL84190 | 205931 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
15523859 | 205931 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL84190 | 205931 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
44298315 | 193296 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 11 | 1 | 6 | 5.5 | CCCCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL52407 | 193296 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 11 | 1 | 6 | 5.5 | CCCCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | |||
14823035 | 141561 | 2 | None | - | 3 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | |||
CHEMBL38486 | 141561 | 2 | None | - | 3 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | |||
10112732 | 16810 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 418 | 8 | 4 | 5 | 3.3 | N#CN/C(=N\c1cccc(F)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL124668 | 16810 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 418 | 8 | 4 | 5 | 3.3 | N#CN/C(=N\c1cccc(F)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
44307186 | 203766 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 12 | 3 | 6 | 3.0 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL68021 | 203766 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 12 | 3 | 6 | 3.0 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
24900813 | 70364 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945042 | 70364 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
44268365 | 98567 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 406 | 10 | 4 | 5 | 3.2 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL276659 | 98567 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 406 | 10 | 4 | 5 | 3.2 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | |||
3914 | 739 | 35 | None | -3 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
39468 | 739 | 35 | None | -3 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
431 | 739 | 35 | None | -3 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
570 | 739 | 35 | None | -3 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
CHEMBL1201237 | 739 | 35 | None | -3 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
CHEMBL293030 | 739 | 35 | None | -3 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
DB01210 | 739 | 35 | None | -3 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
44268349 | 20574 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 456 | 12 | 4 | 6 | 2.9 | O=S(=O)(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL13079 | 20574 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 456 | 12 | 4 | 6 | 2.9 | O=S(=O)(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
1499 | 2089 | 47 | None | -33 | 17 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | |||
3779 | 2089 | 47 | None | -33 | 17 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | |||
536 | 2089 | 47 | None | -33 | 17 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | |||
CHEMBL434 | 2089 | 47 | None | -33 | 17 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | |||
DB01064 | 2089 | 47 | None | -33 | 17 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | |||
46881576 | 7842 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 416 | 9 | 3 | 6 | 3.3 | O=C(Cc1nc2ccccc2o1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1089725 | 7842 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 416 | 9 | 3 | 6 | 3.3 | O=C(Cc1nc2ccccc2o1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
44307144 | 203607 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL67015 | 203607 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44298256 | 197110 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 9 | 1 | 6 | 4.7 | CCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL56768 | 197110 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 9 | 1 | 6 | 4.7 | CCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | |||
44301806 | 100718 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ncccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL292598 | 100718 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ncccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
46881938 | 6763 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 443 | 9 | 3 | 4 | 5.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1C1CCCCC1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1083832 | 6763 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 443 | 9 | 3 | 4 | 5.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1C1CCCCC1 | 10.1016/j.bmcl.2010.01.130 | |||
44285226 | 99846 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 15 | 3 | 7 | 5.5 | CCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL285713 | 99846 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 15 | 3 | 7 | 5.5 | CCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
44335628 | 4834 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 498 | 12 | 4 | 7 | 3.7 | CCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL104222 | 4834 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 498 | 12 | 4 | 7 | 3.7 | CCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44335588 | 5271 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 496 | 13 | 4 | 6 | 3.9 | CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL106487 | 5271 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 496 | 13 | 4 | 6 | 3.9 | CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44268273 | 97078 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL267306 | 97078 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | |||
44349645 | 113516 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)N(c1nc(-c3ccc(OC(F)(F)F)cc3)cs1)CC2)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL332132 | 113516 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)N(c1nc(-c3ccc(OC(F)(F)F)cc3)cs1)CC2)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
12049926 | 203080 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 654 | 14 | 3 | 10 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL63825 | 203080 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 654 | 14 | 3 | 10 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
56663238 | 64100 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807872 | 64100 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
24901144 | 70327 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1944691 | 70327 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
24900872 | 70360 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945038 | 70360 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
57391554 | 70366 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945044 | 70366 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | |||
24900942 | 70387 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945299 | 70387 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
44306991 | 203680 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 493 | 11 | 4 | 8 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL67461 | 203680 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 493 | 11 | 4 | 8 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
9917962 | 167954 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL431678 | 167954 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
44298787 | 194747 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 443 | 12 | 2 | 5 | 6.6 | CCCCCCCCc1csc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL53679 | 194747 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 443 | 12 | 2 | 5 | 6.6 | CCCCCCCCc1csc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
44301804 | 168179 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccn3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL433248 | 168179 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccn3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
44313161 | 103773 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
CHEMBL308860 | 103773 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
12017017 | 127479 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 606 | 13 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL36609 | 127479 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 606 | 13 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
12017013 | 136279 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 588 | 13 | 3 | 8 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL37335 | 136279 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 588 | 13 | 3 | 8 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
12017002 | 141697 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 558 | 11 | 3 | 7 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)cc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL38562 | 141697 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 558 | 11 | 3 | 7 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)cc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
44281470 | 113572 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 589 | 12 | 4 | 9 | 4.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL33224 | 113572 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 589 | 12 | 4 | 9 | 4.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
13864381 | 208342 | 3 | None | - | 4 | Guinea pig | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
CHEMBL542683 | 208342 | 3 | None | - | 4 | Guinea pig | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
CHEMBL99361 | 208342 | 3 | None | - | 4 | Guinea pig | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
13864389 | 5064 | 2 | None | - | 2 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
CHEMBL105383 | 5064 | 2 | None | - | 2 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
15123375 | 57489 | 3 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 295 | 4 | 2 | 3 | 1.9 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccccc1 | 10.1021/jm00082a016 | |||
CHEMBL165901 | 57489 | 3 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 295 | 4 | 2 | 3 | 1.9 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccccc1 | 10.1021/jm00082a016 | |||
16049087 | 64081 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807817 | 64081 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
16049088 | 64082 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807818 | 64082 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
16049024 | 64084 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 498 | 13 | 4 | 7 | 4.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807820 | 64084 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 498 | 13 | 4 | 7 | 4.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
24901284 | 70384 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945296 | 70384 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
46881872 | 7745 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 411 | 10 | 4 | 7 | 2.6 | CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1089052 | 7745 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 411 | 10 | 4 | 7 | 2.6 | CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | |||
44298849 | 196450 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 6.3 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL56308 | 196450 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 6.3 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | |||
44335663 | 4788 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 560 | 13 | 4 | 7 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1)OCCc1ccccc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL104076 | 4788 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 560 | 13 | 4 | 7 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1)OCCc1ccccc1 | 10.1016/s0960-894x(98)00571-x | |||
44335496 | 4799 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 335 | 8 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL104127 | 4799 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 335 | 8 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44301831 | 100961 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 590 | 14 | 3 | 7 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCCC3CCCC3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL294172 | 100961 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 590 | 14 | 3 | 7 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCCC3CCCC3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
44301805 | 101014 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL294492 | 101014 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
44281407 | 100303 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 666 | 14 | 4 | 10 | 3.6 | CS(=O)(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL289248 | 100303 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 666 | 14 | 4 | 10 | 3.6 | CS(=O)(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
44461706 | 205921 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL84117 | 205921 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
44285685 | 100213 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL288418 | 100213 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
12043159 | 100011 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CC(=O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL286800 | 100011 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CC(=O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
44281396 | 99957 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL286435 | 99957 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
10119061 | 17954 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1ccc(I)cc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL126055 | 17954 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1ccc(I)cc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
44268539 | 20425 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 13 | 5 | 7 | 3.4 | CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL13068 | 20425 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 13 | 5 | 7 | 3.4 | CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
14739891 | 207728 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 408 | 12 | 3 | 6 | 1.8 | COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00172a033 | |||
CHEMBL95727 | 207728 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 408 | 12 | 3 | 6 | 1.8 | COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00172a033 | |||
1978 | 250 | 60 | None | -15 | 6 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
40 | 250 | 60 | None | -15 | 6 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
7107 | 250 | 60 | None | -15 | 6 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
CHEMBL642 | 250 | 60 | None | -15 | 6 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
DB01193 | 250 | 60 | None | -15 | 6 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
44349646 | 16867 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3ccc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL124929 | 16867 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3ccc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
44349629 | 18522 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL127422 | 18522 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
44268569 | 98192 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL274143 | 98192 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
12017004 | 100154 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL287880 | 100154 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
46881575 | 7782 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 416 | 9 | 3 | 7 | 2.3 | O=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1089387 | 7782 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 416 | 9 | 3 | 7 | 2.3 | O=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
9958539 | 103103 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | |||
CHEMBL307647 | 103103 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | |||
145947596 | 167697 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 355 | 5 | 2 | 5 | 3.4 | Cc1cccc2c(=O)c3ccc(OCC(O)CNC(C)(C)C)cc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4128231 | 167697 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 355 | 5 | 2 | 5 | 3.4 | Cc1cccc2c(=O)c3ccc(OCC(O)CNC(C)(C)C)cc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4302343 | 167697 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 355 | 5 | 2 | 5 | 3.4 | Cc1cccc2c(=O)c3ccc(OCC(O)CNC(C)(C)C)cc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
16049448 | 64093 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807829 | 64093 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
16049376 | 64099 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807871 | 64099 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
24901209 | 70353 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945031 | 70353 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
24900812 | 70365 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945043 | 70365 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
44349379 | 18526 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 12 | 5 | 8 | 2.6 | NC(=O)c1cccc(N/C(=C/[N+](=O)[O-])Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL127451 | 18526 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 12 | 5 | 8 | 2.6 | NC(=O)c1cccc(N/C(=C/[N+](=O)[O-])Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
56673674 | 64095 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 513 | 13 | 5 | 8 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCS(=O)(=O)CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
CHEMBL1807831 | 64095 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 513 | 13 | 5 | 8 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCS(=O)(=O)CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
24900874 | 70381 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
CHEMBL1945293 | 70381 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
44307113 | 169381 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 11 | 3 | 5 | 3.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL442172 | 169381 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 11 | 3 | 5 | 3.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44268570 | 98193 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.8 | CCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL274144 | 98193 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.8 | CCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
14739892 | 208248 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 337 | 8 | 2 | 5 | 2.7 | Cc1ccccc1OCC(O)CNCc1ccc(-n2ccnc2)cc1 | 10.1021/jm00172a033 | |||
CHEMBL98773 | 208248 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 337 | 8 | 2 | 5 | 2.7 | Cc1ccccc1OCC(O)CNCc1ccc(-n2ccnc2)cc1 | 10.1021/jm00172a033 | |||
44335603 | 107428 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 538 | 16 | 4 | 6 | 5.0 | CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL318165 | 107428 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 538 | 16 | 4 | 6 | 5.0 | CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
9915238 | 198164 | 2 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL57486 | 198164 | 2 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
81430 | 200091 | 109 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | |||
CHEMBL59597 | 200091 | 109 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | |||
15483879 | 99781 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL285240 | 99781 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44281395 | 99928 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 587 | 13 | 4 | 10 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccccc3O)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL286231 | 99928 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 587 | 13 | 4 | 10 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccccc3O)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
12017015 | 123092 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 546 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
CHEMBL36101 | 123092 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 546 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
9915238 | 198164 | 2 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL57486 | 198164 | 2 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | |||
9896742 | 204942 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
CHEMBL76403 | 204942 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
44268266 | 18006 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 317 | 8 | 4 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12633 | 18006 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 317 | 8 | 4 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44349357 | 159907 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL410702 | 159907 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
44338578 | 110573 | 0 | None | - | 0 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 378 | 6 | 2 | 5 | 3.4 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
CHEMBL325371 | 110573 | 0 | None | - | 0 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 378 | 6 | 2 | 5 | 3.4 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
44349237 | 163437 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 511 | 13 | 4 | 8 | 5.3 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL419787 | 163437 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 511 | 13 | 4 | 8 | 5.3 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
44268352 | 15537 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 380 | 10 | 4 | 6 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12188 | 15537 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 380 | 10 | 4 | 6 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
46881617 | 7941 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 397 | 9 | 4 | 7 | 2.2 | Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1090425 | 7941 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 397 | 9 | 4 | 7 | 2.2 | Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | |||
46901383 | 15435 | 23 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 380 | 5 | 3 | 6 | 2.4 | NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1 | 10.1021/jm100076w | |||
CHEMBL1214999 | 15435 | 23 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 380 | 5 | 3 | 6 | 2.4 | NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1 | 10.1021/jm100076w | |||
10012704 | 11219 | 0 | None | 1 | 2 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
CHEMBL1178768 | 11219 | 0 | None | 1 | 2 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
CHEMBL39987 | 11219 | 0 | None | 1 | 2 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
10442852 | 11212 | 0 | None | - | 2 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178755 | 11212 | 0 | None | - | 2 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL39706 | 11212 | 0 | None | - | 2 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
10076885 | 99782 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 14 | 3 | 9 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCOC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL285242 | 99782 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 14 | 3 | 9 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCOC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
46881752 | 7262 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 431 | 9 | 4 | 6 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)OCc1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1085928 | 7262 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 431 | 9 | 4 | 6 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)OCc1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
10101116 | 14530 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1cccc2c1CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL120238 | 14530 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1cccc2c1CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
10722793 | 113345 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
CHEMBL331744 | 113345 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
44338127 | 7658 | 0 | None | - | 0 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 390 | 8 | 3 | 6 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12OCCO | 10.1021/jm00122a008 | |||
CHEMBL108843 | 7658 | 0 | None | - | 0 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 390 | 8 | 3 | 6 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12OCCO | 10.1021/jm00122a008 | |||
44301866 | 100573 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 606 | 18 | 3 | 7 | 6.7 | CCCCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL291593 | 100573 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 606 | 18 | 3 | 7 | 6.7 | CCCCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
44377514 | 56512 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL163579 | 56512 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
44461486 | 205361 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
CHEMBL79806 | 205361 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
44280795 | 112575 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 12 | 3 | 8 | 3.8 | CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL33013 | 112575 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 12 | 3 | 8 | 3.8 | CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
15523860 | 120169 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 593 | 15 | 3 | 6 | 5.2 | CCCCC(C)(C)CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
CHEMBL351596 | 120169 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 593 | 15 | 3 | 6 | 5.2 | CCCCC(C)(C)CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
44307396 | 203748 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 582 | 12 | 3 | 6 | 3.7 | COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL67886 | 203748 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 582 | 12 | 3 | 6 | 3.7 | COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
46881750 | 7222 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 401 | 8 | 4 | 5 | 3.1 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1085693 | 7222 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 401 | 8 | 4 | 5 | 3.1 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
12049914 | 203591 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL66908 | 203591 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
44268509 | 19419 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 513 | 13 | 5 | 7 | 3.1 | CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
CHEMBL12943 | 19419 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 513 | 13 | 5 | 7 | 3.1 | CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
44338133 | 9230 | 0 | None | - | 0 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 346 | 6 | 3 | 5 | 2.6 | CC(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12O | 10.1021/jm00122a008 | |||
CHEMBL110659 | 9230 | 0 | None | - | 0 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 346 | 6 | 3 | 5 | 2.6 | CC(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12O | 10.1021/jm00122a008 | |||
2464 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | |||
5253 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | |||
7297 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | |||
CHEMBL471 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | |||
DB00489 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | |||
44307205 | 203814 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 584 | 17 | 6 | 8 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL68408 | 203814 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 584 | 17 | 6 | 8 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
44298852 | 101741 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL299719 | 101741 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
44268322 | 18970 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 303 | 8 | 4 | 5 | 1.7 | Oc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL12876 | 18970 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 303 | 8 | 4 | 5 | 1.7 | Oc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
44301843 | 199606 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 584 | 13 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL59270 | 199606 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 584 | 13 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
2464 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | |||
5253 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | |||
7297 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | |||
CHEMBL471 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | |||
DB00489 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | |||
44281343 | 110367 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 639 | 14 | 3 | 13 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
CHEMBL32418 | 110367 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 639 | 14 | 3 | 13 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
44280858 | 99811 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 17 | 3 | 8 | 5.7 | CCCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
CHEMBL285458 | 99811 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 17 | 3 | 8 | 5.7 | CCCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
2464 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | |||
5253 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | |||
7297 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | |||
CHEMBL471 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | |||
DB00489 | 3638 | 58 | None | -2 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | |||
44298700 | 101944 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 2.5 | CN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL301202 | 101944 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 2.5 | CN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
44268341 | 22755 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | |||
CHEMBL13278 | 22755 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | |||
44301880 | 198637 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 596 | 11 | 3 | 8 | 6.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL57908 | 198637 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 596 | 11 | 3 | 8 | 6.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
44307166 | 102719 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 570 | 11 | 3 | 5 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
CHEMBL304878 | 102719 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 570 | 11 | 3 | 5 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
12049925 | 98692 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL277613 | 98692 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
12049924 | 203795 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 606 | 13 | 3 | 9 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
CHEMBL68301 | 203795 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 606 | 13 | 3 | 9 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
44301867 | 100574 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 613 | 12 | 4 | 8 | 5.5 | CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
CHEMBL291594 | 100574 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 613 | 12 | 4 | 8 | 5.5 | CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
46881531 | 6987 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 415 | 9 | 4 | 5 | 3.0 | O=C(Cc1n[nH]c2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1084667 | 6987 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 415 | 9 | 4 | 5 | 3.0 | O=C(Cc1n[nH]c2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
56645363 | 121488 | 12 | None | -3 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | |||
CHEMBL3582478 | 121488 | 12 | None | -3 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | |||
44335548 | 109763 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 567 | 17 | 5 | 6 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
CHEMBL323113 | 109763 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 567 | 17 | 5 | 6 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
44298781 | 100692 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 443 | 10 | 1 | 3 | 5.3 | CCCCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
CHEMBL292407 | 100692 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 443 | 10 | 1 | 3 | 5.3 | CCCCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
10160636 | 113496 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 443 | 9 | 5 | 6 | 2.2 | N#CN/C(=N\c1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1 | 10.1016/s0960-894x(00)00669-7 | |||
CHEMBL332010 | 113496 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 443 | 9 | 5 | 6 | 2.2 | N#CN/C(=N\c1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1 | 10.1016/s0960-894x(00)00669-7 | |||
46882028 | 5756 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 467 | 11 | 3 | 5 | 4.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1COc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
CHEMBL1078495 | 5756 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 467 | 11 | 3 | 5 | 4.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1COc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
164612037 | 185375 | 0 | None | -1 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL4860528 | 185375 | 0 | None | -1 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | |||
168290235 | 192966 | 0 | None | -5 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL5201074 | 192966 | 0 | None | -5 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL5222491 | 192966 | 0 | None | -5 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
168294767 | 193017 | 0 | None | -1 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL5207281 | 193017 | 0 | None | -1 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL5222802 | 193017 | 0 | None | -1 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
168295528 | 193029 | 0 | None | -1 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL5206565 | 193029 | 0 | None | -1 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL5222872 | 193029 | 0 | None | -1 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
21595418 | 102637 | 0 | None | -2 | 2 | Guinea pig | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
CHEMBL304344 | 102637 | 0 | None | -2 | 2 | Guinea pig | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
33624 | 3819 | 34 | None | -3 | 9 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | |||
4061 | 3819 | 34 | None | -3 | 9 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | |||
565 | 3819 | 34 | None | -3 | 9 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | |||
CHEMBL499 | 3819 | 34 | None | -3 | 9 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | |||
DB00373 | 3819 | 34 | None | -3 | 9 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | |||
33624 | 3819 | 34 | None | -3 | 9 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | |||
4061 | 3819 | 34 | None | -3 | 9 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | |||
565 | 3819 | 34 | None | -3 | 9 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | |||
CHEMBL499 | 3819 | 34 | None | -3 | 9 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | |||
DB00373 | 3819 | 34 | None | -3 | 9 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | |||
12179890 | 94632 | 1 | None | 3 | 2 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OC[C@@H](O)CNC(C)C)c1 | 10.1021/jm800227h | |||
CHEMBL252319 | 94632 | 1 | None | 3 | 2 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OC[C@@H](O)CNC(C)C)c1 | 10.1021/jm800227h | |||
12878481 | 59987 | 0 | None | 169 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | OC(CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
CHEMBL173424 | 59987 | 0 | None | 169 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | OC(CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
13157386 | 63175 | 3 | None | 138 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL1788320 | 63175 | 3 | None | 138 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL1789879 | 63175 | 3 | None | 138 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
135079 | 10500 | 1 | None | 9772 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11671 | 10500 | 1 | None | 9772 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
12878477 | 103532 | 0 | None | 10 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 357 | 6 | 3 | 4 | 3.2 | CC(C)(C)NC[C@H](O)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
CHEMBL3085291 | 103532 | 0 | None | 10 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 357 | 6 | 3 | 4 | 3.2 | CC(C)(C)NC[C@H](O)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
123686 | 1979 | 51 | None | 1 | 9 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm00156a028 | |||
12581 | 1979 | 51 | None | 1 | 9 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm00156a028 | |||
CHEMBL11268 | 1979 | 51 | None | 1 | 9 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm00156a028 | |||
25271869 | 158629 | 4 | None | -38 | 2 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 299 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL4092412 | 158629 | 4 | None | -38 | 2 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 299 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
2685 | 889 | 21 | None | -1 | 7 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/acsmedchemlett.6b00363 | |||
541 | 889 | 21 | None | -1 | 7 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL280822 | 889 | 21 | None | -1 | 7 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/acsmedchemlett.6b00363 | |||
13157406 | 9428 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
CHEMBL11171 | 9428 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
13157406 | 9428 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
CHEMBL11171 | 9428 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
13157406 | 9428 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00103a004 | |||
CHEMBL11171 | 9428 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00103a004 | |||
13621703 | 9381 | 0 | None | - | 1 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 439 | 12 | 3 | 6 | 3.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11145 | 9381 | 0 | None | - | 1 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 439 | 12 | 3 | 6 | 3.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
13040879 | 23853 | 0 | None | -1 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | |||
CHEMBL13365 | 23853 | 0 | None | -1 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | |||
2369 | 621 | 80 | None | 3 | 8 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.5b00201 | |||
356 | 621 | 80 | None | 3 | 8 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.5b00201 | |||
549 | 621 | 80 | None | 3 | 8 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.5b00201 | |||
CHEMBL423 | 621 | 80 | None | 3 | 8 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.5b00201 | |||
DB00195 | 621 | 80 | None | 3 | 8 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.5b00201 | |||
12521601 | 128644 | 0 | None | 20 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 371 | 7 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
CHEMBL366769 | 128644 | 0 | None | 20 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 371 | 7 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
2685 | 889 | 21 | None | -1 | 7 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | |||
541 | 889 | 21 | None | -1 | 7 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | |||
CHEMBL280822 | 889 | 21 | None | -1 | 7 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | |||
3123920 | 2824 | 85 | None | 2 | 6 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00119a011 | |||
546 | 2824 | 85 | None | 2 | 6 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00119a011 | |||
CHEMBL7154 | 2824 | 85 | None | 2 | 6 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00119a011 | |||
2369 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | |||
356 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | |||
549 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | |||
CHEMBL423 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | |||
DB00195 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
2369 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | |||
356 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | |||
549 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | |||
CHEMBL423 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | |||
DB00195 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
18047 | 203616 | 21 | None | 2 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00119a011 | |||
CHEMBL67096 | 203616 | 21 | None | 2 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00119a011 | |||
13267804 | 204002 | 0 | None | -1 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
CHEMBL69635 | 204002 | 0 | None | -1 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
123686 | 1979 | 51 | None | -1 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | |||
12581 | 1979 | 51 | None | -1 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | |||
CHEMBL11268 | 1979 | 51 | None | -1 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | |||
13157364 | 77965 | 0 | None | 30 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
CHEMBL2096752 | 77965 | 0 | None | 30 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
13621676 | 9215 | 0 | None | 1122 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 475 | 11 | 3 | 6 | 3.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11051 | 9215 | 0 | None | 1122 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 475 | 11 | 3 | 6 | 3.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
105110 | 100128 | 5 | None | -1 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 273 | 7 | 2 | 3 | 2.8 | CC(C)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
CHEMBL287651 | 100128 | 5 | None | -1 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 273 | 7 | 2 | 3 | 2.8 | CC(C)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
13040919 | 106065 | 0 | None | -19 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 339 | 9 | 2 | 7 | 1.1 | CCOC(=O)C(C)(C)NCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | |||
CHEMBL31335 | 106065 | 0 | None | -19 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 339 | 9 | 2 | 7 | 1.1 | CCOC(=O)C(C)(C)NCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | |||
12462222 | 112639 | 0 | None | 39 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1cc(C)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL3246232 | 112639 | 0 | None | 39 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1cc(C)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL3302868 | 112639 | 0 | None | 39 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1cc(C)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
235055 | 107421 | 8 | None | 3 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.7 | CC(C)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
CHEMBL31811 | 107421 | 8 | None | 3 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.7 | CC(C)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
13621706 | 9056 | 0 | None | 154 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 317 | 8 | 3 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(-c2nc(C(C)C)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
CHEMBL10988 | 9056 | 0 | None | 154 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 317 | 8 | 3 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(-c2nc(C(C)C)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
5464103 | 91534 | 20 | None | 1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N/OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
CHEMBL24045 | 91534 | 20 | None | 1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N/OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
6917762 | 9322 | 9 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
CHEMBL111103 | 9322 | 9 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
6917762 | 9322 | 9 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00115a008 | |||
CHEMBL111103 | 9322 | 9 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00115a008 | |||
6917762 | 9322 | 9 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00115a008 | |||
CHEMBL111103 | 9322 | 9 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00115a008 | |||
13157371 | 60039 | 0 | None | 3235 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL173629 | 60039 | 0 | None | 3235 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
13621757 | 203438 | 0 | None | - | 1 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 453 | 13 | 3 | 7 | 2.8 | COc1ccc(CCNC[C@H](O)COc2ccc(Cc3nc(C(C)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL65774 | 203438 | 0 | None | - | 1 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 453 | 13 | 3 | 7 | 2.8 | COc1ccc(CCNC[C@H](O)COc2ccc(Cc3nc(C(C)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
13621651 | 9137 | 0 | None | - | 1 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 441 | 13 | 3 | 7 | 2.8 | COCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
CHEMBL10998 | 9137 | 0 | None | - | 1 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 441 | 13 | 3 | 7 | 2.8 | COCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
1054 | 1584 | 54 | None | 1 | 3 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | |||
59768 | 1584 | 54 | None | 1 | 3 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | |||
7178 | 1584 | 54 | None | 1 | 3 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | |||
CHEMBL768 | 1584 | 54 | None | 1 | 3 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | |||
DB00187 | 1584 | 54 | None | 1 | 3 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | |||
1054 | 1584 | 54 | None | 1 | 3 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
59768 | 1584 | 54 | None | 1 | 3 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
7178 | 1584 | 54 | None | 1 | 3 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
CHEMBL768 | 1584 | 54 | None | 1 | 3 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
DB00187 | 1584 | 54 | None | 1 | 3 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
44307782 | 203558 | 3 | None | 2 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 223 | 6 | 1 | 3 | 1.8 | CC(C)N(C)CC(O)COc1ccccc1 | 10.1021/jm00119a011 | |||
CHEMBL66662 | 203558 | 3 | None | 2 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 223 | 6 | 1 | 3 | 1.8 | CC(C)N(C)CC(O)COc1ccccc1 | 10.1021/jm00119a011 | |||
44279341 | 100097 | 0 | None | - | 1 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 403 | 13 | 2 | 7 | 2.2 | COc1ccc(CCOC(=O)CCNCC(O)COc2ccccc2)cc1OC | 10.1021/jm00354a002 | |||
CHEMBL287452 | 100097 | 0 | None | - | 1 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 403 | 13 | 2 | 7 | 2.2 | COc1ccc(CCOC(=O)CCNCC(O)COc2ccccc2)cc1OC | 10.1021/jm00354a002 | |||
3486 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00103a004 | |||
4883 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00103a004 | |||
555 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00103a004 | |||
CHEMBL6995 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00103a004 | |||
DB01297 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00103a004 | |||
12484287 | 109714 | 0 | None | -2 | 2 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1ccc2[nH]cnc2c1 | 10.1021/jm00188a019 | |||
CHEMBL3228930 | 109714 | 0 | None | -2 | 2 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1ccc2[nH]cnc2c1 | 10.1021/jm00188a019 | |||
214809 | 110466 | 5 | None | 1 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 252 | 7 | 3 | 4 | 0.5 | CC(C)NCC(O)COc1ccc(C(N)=O)cc1 | 10.1021/jm00207a025 | |||
CHEMBL3247302 | 110466 | 5 | None | 1 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 252 | 7 | 3 | 4 | 0.5 | CC(C)NCC(O)COc1ccc(C(N)=O)cc1 | 10.1021/jm00207a025 | |||
44383643 | 165632 | 1 | None | -15 | 2 | Guinea pig | 4.0 | pKd | = | 4 | Binding | ChEMBL | 238 | 7 | 1 | 3 | 3.0 | CC(C)(C)NCCCON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
CHEMBL424369 | 165632 | 1 | None | -15 | 2 | Guinea pig | 4.0 | pKd | = | 4 | Binding | ChEMBL | 238 | 7 | 1 | 3 | 3.0 | CC(C)(C)NCCCON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
56597178 | 88257 | 0 | None | 10 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1O | 10.1021/jm400348g | |||
CHEMBL2348209 | 88257 | 0 | None | 10 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1O | 10.1021/jm400348g | |||
13974078 | 9422 | 0 | None | - | 1 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 388 | 7 | 4 | 6 | 2.5 | CC(C)(C)NCC(O)COCC1CN=C(Nc2c(Cl)cccc2Cl)N1 | 10.1021/jm00115a008 | |||
CHEMBL111697 | 9422 | 0 | None | - | 1 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 388 | 7 | 4 | 6 | 2.5 | CC(C)(C)NCC(O)COCC1CN=C(Nc2c(Cl)cccc2Cl)N1 | 10.1021/jm00115a008 | |||
3486 | 3155 | 56 | None | -6 | 11 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | |||
4883 | 3155 | 56 | None | -6 | 11 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | |||
555 | 3155 | 56 | None | -6 | 11 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | |||
CHEMBL6995 | 3155 | 56 | None | -6 | 11 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | |||
DB01297 | 3155 | 56 | None | -6 | 11 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | |||
551640 | 203514 | 21 | None | 1 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | CC(C)NCC(O)COCc1ccccc1 | 10.1021/jm00119a011 | |||
CHEMBL66331 | 203514 | 21 | None | 1 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | CC(C)NCC(O)COCc1ccccc1 | 10.1021/jm00119a011 | |||
137 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
2119 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
563 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
66368 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
CHEMBL266195 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
DB00866 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
71662249 | 88250 | 0 | None | 109 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Cl)cc1 | 10.1021/jm400348g | |||
CHEMBL2348202 | 88250 | 0 | None | 109 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Cl)cc1 | 10.1021/jm400348g | |||
13621642 | 6203 | 1 | None | 2754 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 453 | 12 | 3 | 7 | 3.2 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)=O)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL10813 | 6203 | 1 | None | 2754 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 453 | 12 | 3 | 7 | 3.2 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)=O)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
13590033 | 9835 | 0 | None | 19 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 398 | 11 | 2 | 7 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(-c3ncco3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11401 | 9835 | 0 | None | 19 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 398 | 11 | 2 | 7 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(-c3ncco3)cc2)cc1OC | 10.1021/jm00156a028 | |||
71662410 | 88254 | 0 | None | 12 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1C(F)(F)F | 10.1021/jm400348g | |||
CHEMBL2348206 | 88254 | 0 | None | 12 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1C(F)(F)F | 10.1021/jm400348g | |||
13621767 | 9327 | 0 | None | - | 1 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 503 | 13 | 3 | 6 | 3.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11112 | 9327 | 0 | None | - | 1 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 503 | 13 | 3 | 6 | 3.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
71662409 | 88252 | 0 | None | 85 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Br)c1 | 10.1021/jm400348g | |||
CHEMBL2348204 | 88252 | 0 | None | 85 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Br)c1 | 10.1021/jm400348g | |||
70695511 | 77858 | 1 | None | 1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
CHEMBL2093060 | 77858 | 1 | None | 1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
56598967 | 88259 | 0 | None | 275 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | |||
CHEMBL2348211 | 88259 | 0 | None | 275 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | |||
13040886 | 99733 | 0 | None | -1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
CHEMBL284909 | 99733 | 0 | None | -1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
66653395 | 88258 | 0 | None | 109 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(O)c1 | 10.1021/jm400348g | |||
CHEMBL2348210 | 88258 | 0 | None | 109 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(O)c1 | 10.1021/jm400348g | |||
13621715 | 5132 | 1 | None | 436 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
CHEMBL10574 | 5132 | 1 | None | 436 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
13621721 | 162125 | 1 | None | 2630 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 420 | 10 | 3 | 6 | 3.8 | OC(CNCCc1ccncc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
CHEMBL416151 | 162125 | 1 | None | 2630 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 420 | 10 | 3 | 6 | 3.8 | OC(CNCCc1ccncc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
9816183 | 100545 | 6 | None | -5 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/s0960-894x(99)00205-x | |||
CHEMBL29141 | 100545 | 6 | None | -5 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/s0960-894x(99)00205-x | |||
44459582 | 93556 | 0 | None | -13 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 312 | 8 | 2 | 5 | 2.5 | CC(C)(C)NCC(O)CO/N=C(/CC(=O)C(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
CHEMBL24644 | 93556 | 0 | None | -13 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 312 | 8 | 2 | 5 | 2.5 | CC(C)(C)NCC(O)CO/N=C(/CC(=O)C(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
192962 | 110440 | 13 | None | 2 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1ccc(C(O)CNC(C)C)cc1 | 10.1021/jm00208a015 | |||
CHEMBL3246231 | 110440 | 13 | None | 2 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1ccc(C(O)CNC(C)C)cc1 | 10.1021/jm00208a015 | |||
2725073 | 99143 | 57 | None | 10 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 167 | 4 | 2 | 3 | 0.4 | NCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
CHEMBL281109 | 99143 | 57 | None | 10 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 167 | 4 | 2 | 3 | 0.4 | NCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
15569840 | 163291 | 0 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 2.3 | COC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
CHEMBL418770 | 163291 | 0 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 2.3 | COC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
13040888 | 106866 | 0 | None | -1 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00354a003 | |||
CHEMBL31450 | 106866 | 0 | None | -1 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00354a003 | |||
13040905 | 106550 | 0 | None | 10 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 343 | 10 | 2 | 5 | 2.3 | COC(=O)CCc1ccc(OCC(O)CNCc2ccccc2)cc1 | 10.1021/jm00354a003 | |||
CHEMBL31416 | 106550 | 0 | None | 10 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 343 | 10 | 2 | 5 | 2.3 | COC(=O)CCc1ccc(OCC(O)CNCc2ccccc2)cc1 | 10.1021/jm00354a003 | |||
13040911 | 107232 | 0 | None | - | 1 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 353 | 12 | 2 | 7 | 1.1 | CCOC(=O)CCNCC(O)COc1ccc(CCC(=O)OC)cc1 | 10.1021/jm00354a003 | |||
CHEMBL31677 | 107232 | 0 | None | - | 1 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 353 | 12 | 2 | 7 | 1.1 | CCOC(=O)CCNCC(O)COc1ccc(CCC(=O)OC)cc1 | 10.1021/jm00354a003 | |||
15578602 | 99369 | 2 | None | -1 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | CCOC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
CHEMBL282537 | 99369 | 2 | None | -1 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | CCOC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
15578567 | 106970 | 0 | None | - | 1 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 339 | 10 | 2 | 7 | 0.8 | CCOC(=O)C(NCC(O)COc1ccccc1C)C(=O)OCC | 10.1021/jm00354a002 | |||
CHEMBL31508 | 106970 | 0 | None | - | 1 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 339 | 10 | 2 | 7 | 0.8 | CCOC(=O)C(NCC(O)COc1ccccc1C)C(=O)OCC | 10.1021/jm00354a002 | |||
15578620 | 107092 | 0 | None | - | 1 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 343 | 9 | 2 | 5 | 2.7 | CCOC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
CHEMBL31591 | 107092 | 0 | None | - | 1 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 343 | 9 | 2 | 5 | 2.7 | CCOC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
44459632 | 96451 | 0 | None | -2 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 230 | 7 | 3 | 4 | 1.1 | CC(NOCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
CHEMBL26224 | 96451 | 0 | None | -2 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 230 | 7 | 3 | 4 | 1.1 | CC(NOCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
13621656 | 9290 | 0 | None | 1348 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 3.2 | CCOCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
CHEMBL11093 | 9290 | 0 | None | 1348 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 3.2 | CCOCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
5487795 | 93274 | 2 | None | -79 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 284 | 5 | 2 | 4 | 3.0 | CC1C/C(=N/OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | |||
CHEMBL24500 | 93274 | 2 | None | -79 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 284 | 5 | 2 | 4 | 3.0 | CC1C/C(=N/OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | |||
12606686 | 92857 | 3 | None | -31 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
CHEMBL1161385 | 92857 | 3 | None | -31 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
CHEMBL24391 | 92857 | 3 | None | -31 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
5473526 | 158341 | 2 | None | -2 | 2 | Human | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 286 | 2 | 0 | 1 | 4.6 | C[n+]1c(/C=C/c2ccccc2Cl)sc2ccccc21 | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL4089434 | 158341 | 2 | None | -2 | 2 | Human | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 286 | 2 | 0 | 1 | 4.6 | C[n+]1c(/C=C/c2ccccc2Cl)sc2ccccc21 | 10.1021/acsmedchemlett.6b00363 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
1786 | 2518 | 85 | None | -2 | 11 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | |||
4171 | 2518 | 85 | None | -2 | 11 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | |||
553 | 2518 | 85 | None | -2 | 11 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | |||
CHEMBL13 | 2518 | 85 | None | -2 | 11 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | |||
DB00264 | 2518 | 85 | None | -2 | 11 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | |||
1786 | 2518 | 85 | None | -2 | 11 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | |||
4171 | 2518 | 85 | None | -2 | 11 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | |||
553 | 2518 | 85 | None | -2 | 11 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | |||
CHEMBL13 | 2518 | 85 | None | -2 | 11 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | |||
DB00264 | 2518 | 85 | None | -2 | 11 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | |||
13621620 | 8986 | 0 | None | 1174 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 425 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL10983 | 8986 | 0 | None | 1174 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 425 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
15112598 | 9319 | 0 | None | 2 | 3 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
CHEMBL111090 | 9319 | 0 | None | 2 | 3 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
12462220 | 112612 | 2 | None | -1 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1ccc(Br)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL3246230 | 112612 | 2 | None | -1 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1ccc(Br)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL3302368 | 112612 | 2 | None | -1 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1ccc(Br)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
15112598 | 9319 | 0 | None | 2 | 3 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
CHEMBL111090 | 9319 | 0 | None | 2 | 3 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
71662248 | 88245 | 0 | None | 75 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1F | 10.1021/jm400348g | |||
CHEMBL2348197 | 88245 | 0 | None | 75 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1F | 10.1021/jm400348g | |||
1786 | 2518 | 85 | None | -1 | 11 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.5b00201 | |||
4171 | 2518 | 85 | None | -1 | 11 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.5b00201 | |||
553 | 2518 | 85 | None | -1 | 11 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.5b00201 | |||
CHEMBL13 | 2518 | 85 | None | -1 | 11 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.5b00201 | |||
DB00264 | 2518 | 85 | None | -1 | 11 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.5b00201 | |||
56599097 | 88244 | 0 | None | 87 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | |||
CHEMBL2348196 | 88244 | 0 | None | 87 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | |||
15578610 | 112152 | 0 | None | 2 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 309 | 11 | 2 | 5 | 2.1 | CCOC(=O)CCCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
CHEMBL32902 | 112152 | 0 | None | 2 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 309 | 11 | 2 | 5 | 2.1 | CCOC(=O)CCCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
13621720 | 98300 | 1 | None | 407 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 357 | 9 | 3 | 5 | 3.5 | CCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
CHEMBL274830 | 98300 | 1 | None | 407 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 357 | 9 | 3 | 5 | 3.5 | CCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
2892936 | 95918 | 6 | None | -15 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 271 | 5 | 2 | 3 | 3.0 | CC1CC(OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | |||
CHEMBL25929 | 95918 | 6 | None | -15 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 271 | 5 | 2 | 3 | 3.0 | CC1CC(OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | |||
12238214 | 25469 | 13 | None | 19 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL13504 | 25469 | 13 | None | 19 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
13040900 | 107356 | 8 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 322 | 10 | 3 | 4 | 1.9 | CC(C)NCC(O)COc1ccc(CCC(=O)NC(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL31768 | 107356 | 8 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 322 | 10 | 3 | 4 | 1.9 | CC(C)NCC(O)COc1ccc(CCC(=O)NC(C)C)cc1 | 10.1021/jm00354a003 | |||
2249 | 512 | 111 | None | 2 | 12 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00103a004 | |||
255 | 512 | 111 | None | 2 | 12 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00103a004 | |||
548 | 512 | 111 | None | 2 | 12 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00103a004 | |||
CHEMBL24 | 512 | 111 | None | 2 | 12 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00103a004 | |||
DB00335 | 512 | 111 | None | 2 | 12 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00103a004 | |||
62773144 | 110438 | 3 | None | 1 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1ccc(Br)cc1 | 10.1021/jm00208a015 | |||
CHEMBL3246227 | 110438 | 3 | None | 1 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1ccc(Br)cc1 | 10.1021/jm00208a015 | |||
14201557 | 203566 | 0 | None | -1 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | |||
CHEMBL66724 | 203566 | 0 | None | -1 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | |||
15578598 | 100229 | 2 | None | 7 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1ccc(OC)cc1 | 10.1021/jm00354a002 | |||
CHEMBL288546 | 100229 | 2 | None | 7 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1ccc(OC)cc1 | 10.1021/jm00354a002 | |||
3025067 | 99380 | 64 | None | -812 | 15 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
65853 | 99380 | 64 | None | -812 | 15 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
CHEMBL282614 | 99380 | 64 | None | -812 | 15 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
13621774 | 98478 | 0 | None | 208 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 427 | 13 | 3 | 7 | 2.6 | COc1ccc(CCNCC(O)COc2ccc(OCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL275934 | 98478 | 0 | None | 208 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 427 | 13 | 3 | 7 | 2.6 | COc1ccc(CCNCC(O)COc2ccc(OCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
56599231 | 88253 | 0 | None | 81 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Br)cc1 | 10.1021/jm400348g | |||
CHEMBL2348205 | 88253 | 0 | None | 81 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Br)cc1 | 10.1021/jm400348g | |||
56599232 | 88255 | 0 | None | 81 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm400348g | |||
CHEMBL2348207 | 88255 | 0 | None | 81 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm400348g | |||
13621653 | 75945 | 1 | None | 2238 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 441 | 13 | 3 | 7 | 2.8 | COCc1c[nH]c(-c2ccc(OC[C@@H](O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
CHEMBL2052004 | 75945 | 1 | None | 2238 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 441 | 13 | 3 | 7 | 2.8 | COCc1c[nH]c(-c2ccc(OC[C@@H](O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
3025067 | 99380 | 64 | None | -812 | 15 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
65853 | 99380 | 64 | None | -812 | 15 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
CHEMBL282614 | 99380 | 64 | None | -812 | 15 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
54669764 | 65490 | 0 | None | -37 | 3 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
CHEMBL1830491 | 65490 | 0 | None | -37 | 3 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
56599099 | 88262 | 0 | None | 91 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | |||
CHEMBL2348214 | 88262 | 0 | None | 91 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | |||
71662247 | 88264 | 0 | None | 51 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | |||
CHEMBL2348216 | 88264 | 0 | None | 51 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | |||
13621700 | 203036 | 0 | None | 3630 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 439 | 12 | 3 | 7 | 2.9 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL63421 | 203036 | 0 | None | 3630 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 439 | 12 | 3 | 7 | 2.9 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
12398051 | 110532 | 0 | None | -43 | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 245 | 2 | 2 | 2 | 2.8 | CC1(C)NC1C(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00199a012 | |||
CHEMBL3251299 | 110532 | 0 | None | -43 | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 245 | 2 | 2 | 2 | 2.8 | CC1(C)NC1C(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00199a012 | |||
13621671 | 169427 | 1 | None | 234 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 496 | 13 | 3 | 8 | 2.5 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(CN4CCOCC4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL442522 | 169427 | 1 | None | 234 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 496 | 13 | 3 | 8 | 2.5 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(CN4CCOCC4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
44459891 | 96162 | 0 | None | -7 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 1.8 | CC(C)(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
CHEMBL26059 | 96162 | 0 | None | -7 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 1.8 | CC(C)(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
5311179 | 1972 | 21 | None | -85 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acsmedchemlett.6b00363 | |||
543 | 1972 | 21 | None | -85 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acsmedchemlett.6b00363 | |||
5484725 | 1972 | 21 | None | -85 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL1233766 | 1972 | 21 | None | -85 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL198059 | 1972 | 21 | None | -85 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acsmedchemlett.6b00363 | |||
90672832 | 110468 | 0 | None | 2 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 294 | 6 | 3 | 5 | 0.5 | CC(C)NCC(O)COc1ccc2c(c1)OCCNC2=O | 10.1021/jm00207a025 | |||
CHEMBL3247304 | 110468 | 0 | None | 2 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 294 | 6 | 3 | 5 | 0.5 | CC(C)NCC(O)COc1ccc2c(c1)OCCNC2=O | 10.1021/jm00207a025 | |||
54756928 | 65486 | 0 | None | -57 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
CHEMBL1830487 | 65486 | 0 | None | -57 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
13157407 | 60285 | 0 | None | 245 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 419 | 10 | 3 | 5 | 4.4 | OC(CNCCc1ccccc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
CHEMBL174259 | 60285 | 0 | None | 245 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 419 | 10 | 3 | 5 | 4.4 | OC(CNCCc1ccccc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
13621761 | 9366 | 0 | None | 10 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 385 | 8 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(Cc2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
CHEMBL11135 | 9366 | 0 | None | 10 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 385 | 8 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(Cc2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
2769826 | 203817 | 28 | None | -1 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(O)COc1ccc2ccccc2c1 | 10.1021/jm00119a011 | |||
CHEMBL68419 | 203817 | 28 | None | -1 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(O)COc1ccc2ccccc2c1 | 10.1021/jm00119a011 | |||
56599102 | 88247 | 0 | None | 60 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(F)cc1 | 10.1021/jm400348g | |||
CHEMBL2348199 | 88247 | 0 | None | 60 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(F)cc1 | 10.1021/jm400348g | |||
56599233 | 88256 | 0 | None | 87 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm400348g | |||
CHEMBL2348208 | 88256 | 0 | None | 87 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm400348g | |||
13621712 | 75947 | 0 | None | 1288 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL2052006 | 75947 | 0 | None | 1288 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
54757027 | 65489 | 0 | None | -53 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
CHEMBL1830490 | 65489 | 0 | None | -53 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
157736 | 98964 | 8 | None | 31 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | CCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL279777 | 98964 | 8 | None | 31 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | CCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
90672835 | 110470 | 0 | None | -10 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 279 | 8 | 2 | 4 | 2.5 | C/C=C\c1ccc(OCC(O)CNC(C)C)c(OC)c1 | 10.1021/jm00207a025 | |||
CHEMBL3247309 | 110470 | 0 | None | -10 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 279 | 8 | 2 | 4 | 2.5 | C/C=C\c1ccc(OCC(O)CNC(C)C)c(OC)c1 | 10.1021/jm00207a025 | |||
15578594 | 107061 | 2 | None | 1 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1cccc(C)c1 | 10.1021/jm00354a002 | |||
CHEMBL31568 | 107061 | 2 | None | 1 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1cccc(C)c1 | 10.1021/jm00354a002 | |||
15569840 | 163291 | 0 | None | - | 1 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 2.3 | COC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
CHEMBL418770 | 163291 | 0 | None | - | 1 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 2.3 | COC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
15578618 | 102811 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 321 | 9 | 2 | 5 | 1.5 | O=C(CCNCC(O)COc1ccccc1)OCC(F)(F)F | 10.1021/jm00354a002 | |||
CHEMBL30538 | 102811 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 321 | 9 | 2 | 5 | 1.5 | O=C(CCNCC(O)COc1ccccc1)OCC(F)(F)F | 10.1021/jm00354a002 | |||
15578555 | 106346 | 3 | None | 1 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 253 | 8 | 2 | 5 | 0.6 | CCOC(=O)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
CHEMBL31392 | 106346 | 3 | None | 1 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 253 | 8 | 2 | 5 | 0.6 | CCOC(=O)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
15578616 | 104593 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 333 | 9 | 2 | 5 | 2.2 | O=C(CCNCC(O)COc1ccccc1)Oc1ccc(F)cc1 | 10.1021/jm00354a002 | |||
CHEMBL31047 | 104593 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 333 | 9 | 2 | 5 | 2.2 | O=C(CCNCC(O)COc1ccccc1)Oc1ccc(F)cc1 | 10.1021/jm00354a002 | |||
133620 | 204990 | 21 | None | - | 1 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 281 | 9 | 3 | 4 | 1.4 | CC(C)NCC(O)COc1ccc(CCC(=O)O)cc1 | 10.1021/jm00354a003 | |||
CHEMBL767 | 204990 | 21 | None | - | 1 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 281 | 9 | 3 | 4 | 1.4 | CC(C)NCC(O)COc1ccc(CCC(=O)O)cc1 | 10.1021/jm00354a003 | |||
13621680 | 162120 | 1 | None | 446 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 431 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Cl)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL416150 | 162120 | 1 | None | 446 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 431 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Cl)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
9904228 | 99286 | 0 | None | -1 | 2 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
CHEMBL281967 | 99286 | 0 | None | -1 | 2 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
44279657 | 104374 | 1 | None | 2 | 2 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | Cc1ccccc1OCC(O)CNCC(C)C | 10.1021/jm00354a002 | |||
CHEMBL31021 | 104374 | 1 | None | 2 | 2 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | Cc1ccccc1OCC(O)CNCC(C)C | 10.1021/jm00354a002 | |||
2176 | 3125 | 68 | None | -4 | 27 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
4828 | 3125 | 68 | None | -4 | 27 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
91 | 3125 | 68 | None | -4 | 27 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
CHEMBL500 | 3125 | 68 | None | -4 | 27 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
DB00960 | 3125 | 68 | None | -4 | 27 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
13621767 | 9327 | 0 | None | - | 1 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 503 | 13 | 3 | 6 | 3.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11112 | 9327 | 0 | None | - | 1 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 503 | 13 | 3 | 6 | 3.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
13621749 | 9494 | 0 | None | - | 1 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 493 | 13 | 3 | 7 | 4.3 | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11205 | 9494 | 0 | None | - | 1 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 493 | 13 | 3 | 7 | 4.3 | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
2369 | 621 | 80 | None | -4 | 8 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.6b00472 | |||
356 | 621 | 80 | None | -4 | 8 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.6b00472 | |||
549 | 621 | 80 | None | -4 | 8 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.6b00472 | |||
CHEMBL423 | 621 | 80 | None | -4 | 8 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.6b00472 | |||
DB00195 | 621 | 80 | None | -4 | 8 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.6b00472 | |||
13157374 | 77964 | 0 | None | 1412 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL2096751 | 77964 | 0 | None | 1412 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
13621752 | 97351 | 0 | None | 144 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 425 | 12 | 3 | 6 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL269467 | 97351 | 0 | None | 144 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 425 | 12 | 3 | 6 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
3486 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | |||
4883 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | |||
555 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL6995 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | |||
DB01297 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | |||
54757232 | 65514 | 0 | None | -30 | 3 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
CHEMBL1830618 | 65514 | 0 | None | -30 | 3 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
13621710 | 9297 | 0 | None | 478 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11097 | 9297 | 0 | None | 478 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
1786 | 2518 | 85 | None | -21 | 11 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00472 | |||
4171 | 2518 | 85 | None | -21 | 11 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00472 | |||
553 | 2518 | 85 | None | -21 | 11 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00472 | |||
CHEMBL13 | 2518 | 85 | None | -21 | 11 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00472 | |||
DB00264 | 2518 | 85 | None | -21 | 11 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00472 | |||
2030 | 3670 | 10 | None | -316 | 10 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | |||
5311377 | 3670 | 10 | None | -316 | 10 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | |||
CHEMBL251541 | 3670 | 10 | None | -316 | 10 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | |||
6917762 | 9322 | 9 | None | -1 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
CHEMBL111103 | 9322 | 9 | None | -1 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
13621722 | 97319 | 5 | None | 229 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 275 | 7 | 3 | 4 | 1.8 | CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00156a028 | |||
CHEMBL269219 | 97319 | 5 | None | 229 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 275 | 7 | 3 | 4 | 1.8 | CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00156a028 | |||
2249 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | |||
255 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | |||
548 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | |||
CHEMBL24 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | |||
DB00335 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | |||
13157412 | 60247 | 0 | None | - | 1 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 411 | 11 | 3 | 6 | 3.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL174106 | 60247 | 0 | None | - | 1 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 411 | 11 | 3 | 6 | 3.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
2249 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | |||
255 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | |||
548 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | |||
CHEMBL24 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | |||
DB00335 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | |||
3682 | 189435 | 12 | None | -229 | 8 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm400348g | |||
CHEMBL1256784 | 189435 | 12 | None | -229 | 8 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm400348g | |||
CHEMBL513389 | 189435 | 12 | None | -229 | 8 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm400348g | |||
13621638 | 9862 | 0 | None | 2137 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 455 | 13 | 3 | 7 | 3.1 | COCc1[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)nc1C | 10.1021/jm00156a028 | |||
CHEMBL11414 | 9862 | 0 | None | 2137 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 455 | 13 | 3 | 7 | 3.1 | COCc1[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)nc1C | 10.1021/jm00156a028 | |||
13621722 | 97319 | 5 | None | 229 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 275 | 7 | 3 | 4 | 1.8 | CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00103a004 | |||
CHEMBL269219 | 97319 | 5 | None | 229 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 275 | 7 | 3 | 4 | 1.8 | CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00103a004 | |||
2834366 | 112658 | 5 | None | 6 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
CHEMBL3247307 | 112658 | 5 | None | 6 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
CHEMBL3303501 | 112658 | 5 | None | 6 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
3486 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | |||
4883 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | |||
555 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | |||
CHEMBL6995 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | |||
DB01297 | 3155 | 56 | None | -6 | 11 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | |||
13040894 | 100027 | 0 | None | 12 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | COC(=O)CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL286894 | 100027 | 0 | None | 12 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | COC(=O)CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
13040915 | 102930 | 0 | None | 50 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 325 | 10 | 2 | 7 | 0.8 | CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | |||
CHEMBL30622 | 102930 | 0 | None | 50 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 325 | 10 | 2 | 7 | 0.8 | CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | |||
12797747 | 203535 | 3 | None | -2 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 251 | 9 | 2 | 3 | 2.0 | CC(C)NCC(O)COCCCc1ccccc1 | 10.1021/jm00119a011 | |||
CHEMBL66449 | 203535 | 3 | None | -2 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 251 | 9 | 2 | 3 | 2.0 | CC(C)NCC(O)COCCCc1ccccc1 | 10.1021/jm00119a011 | |||
15578575 | 99720 | 2 | None | 3 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 281 | 10 | 2 | 5 | 1.4 | CCOC(=O)CCCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
CHEMBL284808 | 99720 | 2 | None | 3 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 281 | 10 | 2 | 5 | 1.4 | CCOC(=O)CCCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
15578620 | 107092 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 343 | 9 | 2 | 5 | 2.7 | CCOC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
CHEMBL31591 | 107092 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 343 | 9 | 2 | 5 | 2.7 | CCOC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
44279341 | 100097 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 403 | 13 | 2 | 7 | 2.2 | COc1ccc(CCOC(=O)CCNCC(O)COc2ccccc2)cc1OC | 10.1021/jm00354a002 | |||
CHEMBL287452 | 100097 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 403 | 13 | 2 | 7 | 2.2 | COc1ccc(CCOC(=O)CCNCC(O)COc2ccccc2)cc1OC | 10.1021/jm00354a002 | |||
12462226 | 112637 | 1 | None | -1 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1ccc(C)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL3246235 | 112637 | 1 | None | -1 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1ccc(C)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL3302805 | 112637 | 1 | None | -1 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1ccc(C)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
14348818 | 109772 | 0 | None | -5 | 3 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
CHEMBL323176 | 109772 | 0 | None | -5 | 3 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
29057685 | 158831 | 12 | None | -1 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.1 | COc1cccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
8056725 | 158831 | 12 | None | -1 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.1 | COc1cccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL4094678 | 158831 | 12 | None | -1 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.1 | COc1cccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
44383465 | 120754 | 2 | None | -2 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
CHEMBL355100 | 120754 | 2 | None | -2 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
21595423 | 203513 | 0 | None | -10 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 2.1 | O[C@H](COCCCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
CHEMBL66324 | 203513 | 0 | None | -10 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 2.1 | O[C@H](COCCCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
2297435 | 55604 | 6 | None | -10 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 253 | 7 | 1 | 2 | 3.5 | C=CCNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL1621144 | 55604 | 6 | None | -10 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 253 | 7 | 1 | 2 | 3.5 | C=CCNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
13157386 | 63175 | 3 | None | 138 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL1788320 | 63175 | 3 | None | 138 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL1789879 | 63175 | 3 | None | 138 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
13621764 | 162018 | 0 | None | 1288 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 507 | 14 | 3 | 7 | 4.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL415970 | 162018 | 0 | None | 1288 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 507 | 14 | 3 | 7 | 4.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
13040881 | 99172 | 0 | None | -1 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 295 | 7 | 2 | 5 | 2.0 | CCOC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | |||
CHEMBL281294 | 99172 | 0 | None | -1 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 295 | 7 | 2 | 5 | 2.0 | CCOC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | |||
56598832 | 88266 | 0 | None | 588 | 3 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
CHEMBL2348218 | 88266 | 0 | None | 588 | 3 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
15578565 | 106999 | 0 | None | 2 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 309 | 9 | 2 | 5 | 2.1 | CCOC(=O)CC(C)(C)NCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
CHEMBL31529 | 106999 | 0 | None | 2 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 309 | 9 | 2 | 5 | 2.1 | CCOC(=O)CC(C)(C)NCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
13621770 | 9347 | 0 | None | 7 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 367 | 8 | 3 | 4 | 2.5 | CC(C)NCC(O)COc1ccc(Cc2nc(Br)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
CHEMBL11125 | 9347 | 0 | None | 7 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 367 | 8 | 3 | 4 | 2.5 | CC(C)NCC(O)COc1ccc(Cc2nc(Br)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
13621602 | 9827 | 0 | None | 1096 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2C)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11396 | 9827 | 0 | None | 1096 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2C)cc1OC | 10.1021/jm00156a028 | |||
2840793 | 203628 | 30 | None | 1 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00119a011 | |||
CHEMBL67151 | 203628 | 30 | None | 1 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00119a011 | |||
12484297 | 109715 | 0 | None | -15 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1cccc2[nH]cnc12 | 10.1021/jm00188a019 | |||
CHEMBL3228931 | 109715 | 0 | None | -15 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1cccc2[nH]cnc12 | 10.1021/jm00188a019 | |||
13621690 | 9883 | 0 | None | 1318 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 440 | 12 | 4 | 7 | 1.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(N)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11427 | 9883 | 0 | None | 1318 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 440 | 12 | 4 | 7 | 1.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(N)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
13621631 | 9689 | 0 | None | 169 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11307 | 9689 | 0 | None | 169 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
12606706 | 93231 | 0 | None | -13 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
CHEMBL24480 | 93231 | 0 | None | -13 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
CHEMBL555848 | 93231 | 0 | None | -13 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
3869259 | 157451 | 3 | None | -3 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | |||
45052940 | 157451 | 3 | None | -3 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | |||
5942882 | 157451 | 3 | None | -3 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL4079127 | 157451 | 3 | None | -3 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | |||
21296271 | 96933 | 3 | None | -1 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 241 | 7 | 2 | 3 | 1.9 | CC(C)(C)NCC(O)COC(C1CC1)C1CC1 | 10.1021/jm00376a011 | |||
CHEMBL26607 | 96933 | 3 | None | -1 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 241 | 7 | 2 | 3 | 1.9 | CC(C)(C)NCC(O)COC(C1CC1)C1CC1 | 10.1021/jm00376a011 | |||
54757331 | 65515 | 0 | None | -39 | 3 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
CHEMBL1830619 | 65515 | 0 | None | -39 | 3 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
15578592 | 99499 | 2 | None | 1 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
CHEMBL283289 | 99499 | 2 | None | 1 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
15578606 | 107964 | 2 | None | 3 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | COC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
CHEMBL31938 | 107964 | 2 | None | 3 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | COC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
559935 | 103795 | 7 | None | 12 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL30899 | 103795 | 7 | None | 12 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | |||
11722868 | 104377 | 0 | None | 7 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 309 | 8 | 2 | 5 | 1.9 | COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL31025 | 104377 | 0 | None | 7 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 309 | 8 | 2 | 5 | 1.9 | COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | |||
12238216 | 107121 | 0 | None | 2 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.6 | CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL31608 | 107121 | 0 | None | 2 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.6 | CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
13040909 | 107170 | 0 | None | 19 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 417 | 13 | 2 | 7 | 2.4 | COC(=O)CCc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm00354a003 | |||
CHEMBL31638 | 107170 | 0 | None | 19 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 417 | 13 | 2 | 7 | 2.4 | COC(=O)CCc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm00354a003 | |||
12238216 | 107121 | 0 | None | 2 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.6 | CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
CHEMBL31608 | 107121 | 0 | None | 2 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.6 | CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
159899 | 107553 | 34 | None | 1 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 217 | 4 | 2 | 3 | 1.5 | NCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
CHEMBL31888 | 107553 | 34 | None | 1 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 217 | 4 | 2 | 3 | 1.5 | NCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
13040917 | 99779 | 0 | None | - | 1 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 383 | 11 | 2 | 9 | 0.3 | CCOC(=O)C(NCC(O)COc1ccccc1C(=O)OC)C(=O)OCC | 10.1021/jm00354a003 | |||
CHEMBL285233 | 99779 | 0 | None | - | 1 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 383 | 11 | 2 | 9 | 0.3 | CCOC(=O)C(NCC(O)COc1ccccc1C(=O)OC)C(=O)OCC | 10.1021/jm00354a003 | |||
15578604 | 107102 | 1 | None | -1 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 253 | 7 | 2 | 5 | 0.5 | COC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
CHEMBL31598 | 107102 | 1 | None | -1 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 253 | 7 | 2 | 5 | 0.5 | COC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
56598831 | 89141 | 0 | None | 295 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
CHEMBL2348220 | 89141 | 0 | None | 295 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
CHEMBL2365796 | 89141 | 0 | None | 295 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
54756927 | 65485 | 0 | None | -97 | 3 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
CHEMBL1830486 | 65485 | 0 | None | -97 | 3 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
54579961 | 63059 | 1 | None | -3 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
CHEMBL1788274 | 63059 | 1 | None | -3 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
3486 | 3155 | 56 | None | -1 | 11 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00207a025 | |||
4883 | 3155 | 56 | None | -1 | 11 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00207a025 | |||
555 | 3155 | 56 | None | -1 | 11 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00207a025 | |||
CHEMBL6995 | 3155 | 56 | None | -1 | 11 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00207a025 | |||
DB01297 | 3155 | 56 | None | -1 | 11 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00207a025 | |||
44274622 | 99790 | 0 | None | -3 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.6 | CC(OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
CHEMBL285309 | 99790 | 0 | None | -3 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.6 | CC(OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
29072430 | 159468 | 12 | None | -6 | 2 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 365 | 4 | 1 | 5 | 3.9 | COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
8071397 | 159468 | 12 | None | -6 | 2 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 365 | 4 | 1 | 5 | 3.9 | COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL4101524 | 159468 | 12 | None | -6 | 2 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 365 | 4 | 1 | 5 | 3.9 | COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
54758417 | 65484 | 0 | None | -38 | 3 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
CHEMBL1830485 | 65484 | 0 | None | -38 | 3 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
214004 | 110465 | 3 | None | - | 1 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 0.8 | CNC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
CHEMBL3247301 | 110465 | 3 | None | - | 1 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 0.8 | CNC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
3067050 | 93417 | 1 | None | -3 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.7 | C=CC(C)(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
CHEMBL24586 | 93417 | 1 | None | -3 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.7 | C=CC(C)(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
14201550 | 102160 | 0 | None | - | 1 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 2.1 | O[C@H](COCCCc1ccccc1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
CHEMBL302605 | 102160 | 0 | None | - | 1 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 2.1 | O[C@H](COCCCc1ccccc1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
16415941 | 159062 | 12 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 4.7 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
16415942 | 159062 | 12 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 4.7 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL4097144 | 159062 | 12 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 4.7 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
12484297 | 109715 | 0 | None | -15 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1cccc2[nH]cnc12 | 10.1021/jm00188a019 | |||
CHEMBL3228931 | 109715 | 0 | None | -15 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1cccc2[nH]cnc12 | 10.1021/jm00188a019 | |||
2369 | 621 | 80 | None | -12 | 8 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00103a004 | |||
356 | 621 | 80 | None | -12 | 8 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00103a004 | |||
549 | 621 | 80 | None | -12 | 8 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00103a004 | |||
CHEMBL423 | 621 | 80 | None | -12 | 8 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00103a004 | |||
DB00195 | 621 | 80 | None | -12 | 8 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00103a004 | |||
15578563 | 100071 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 317 | 9 | 2 | 5 | 2.1 | CCOC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
CHEMBL287242 | 100071 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 317 | 9 | 2 | 5 | 2.1 | CCOC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
15578588 | 104125 | 2 | None | 6 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccccc1Cl | 10.1021/jm00354a002 | |||
CHEMBL30942 | 104125 | 2 | None | 6 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccccc1Cl | 10.1021/jm00354a002 | |||
15578608 | 107497 | 2 | None | 5 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 295 | 10 | 2 | 5 | 1.7 | CCOC(=O)CCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
CHEMBL31857 | 107497 | 2 | None | 5 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 295 | 10 | 2 | 5 | 1.7 | CCOC(=O)CCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
15578590 | 162049 | 2 | None | 5 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1cccc(Cl)c1 | 10.1021/jm00354a002 | |||
CHEMBL416030 | 162049 | 2 | None | 5 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1cccc(Cl)c1 | 10.1021/jm00354a002 | |||
12941056 | 102214 | 0 | None | 10 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.1 | COC(=O)Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL30292 | 102214 | 0 | None | 10 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.1 | COC(=O)Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
193122 | 1908 | 6 | None | -3 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
542 | 1908 | 6 | None | -3 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
CHEMBL142773 | 1908 | 6 | None | -3 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
15569837 | 106543 | 2 | None | 6 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccc(Cl)cc1 | 10.1021/jm00354a002 | |||
CHEMBL31411 | 106543 | 2 | None | 6 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccc(Cl)cc1 | 10.1021/jm00354a002 | |||
15578596 | 111421 | 2 | None | -1 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1cccc(OC)c1 | 10.1021/jm00354a002 | |||
CHEMBL32736 | 111421 | 2 | None | -1 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1cccc(OC)c1 | 10.1021/jm00354a002 | |||
15578614 | 102842 | 0 | None | - | 1 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 315 | 9 | 2 | 5 | 2.0 | O=C(CCNCC(O)COc1ccccc1)Oc1ccccc1 | 10.1021/jm00354a002 | |||
CHEMBL30558 | 102842 | 0 | None | - | 1 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 315 | 9 | 2 | 5 | 2.0 | O=C(CCNCC(O)COc1ccccc1)Oc1ccccc1 | 10.1021/jm00354a002 | |||
13040902 | 104885 | 0 | None | 1 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 323 | 11 | 2 | 5 | 2.3 | CCCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL31117 | 104885 | 0 | None | 1 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 323 | 11 | 2 | 5 | 2.3 | CCCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
14348818 | 109772 | 0 | None | -5 | 3 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
CHEMBL323176 | 109772 | 0 | None | -5 | 3 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
2803 | 954 | 58 | None | -134 | 19 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | |||
516 | 954 | 58 | None | -134 | 19 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | |||
704 | 954 | 58 | None | -134 | 19 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | |||
CHEMBL134 | 954 | 58 | None | -134 | 19 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | |||
DB00575 | 954 | 58 | None | -134 | 19 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | |||
14348818 | 109772 | 0 | None | -5 | 3 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
CHEMBL323176 | 109772 | 0 | None | -5 | 3 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
135079 | 10500 | 1 | None | 9772 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL11671 | 10500 | 1 | None | 9772 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
14201539 | 203521 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
CHEMBL66384 | 203521 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
2249 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | |||
255 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | |||
548 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL24 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | |||
DB00335 | 512 | 111 | None | 2 | 12 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | |||
13621723 | 9951 | 0 | None | 1698 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 395 | 10 | 5 | 5 | 2.2 | O=C(NCCNCC(O)COc1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1 | 10.1021/jm00156a028 | |||
CHEMBL11467 | 9951 | 0 | None | 1698 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 395 | 10 | 5 | 5 | 2.2 | O=C(NCCNCC(O)COc1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1 | 10.1021/jm00156a028 | |||
13621665 | 98495 | 0 | None | 1412 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 2.9 | COCCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
CHEMBL276029 | 98495 | 0 | None | 1412 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 2.9 | COCCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
328583 | 110531 | 2 | None | -676 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 177 | 2 | 2 | 2 | 1.5 | CC1(C)NC1C(O)c1ccccc1 | 10.1021/jm00199a012 | |||
CHEMBL3251298 | 110531 | 2 | None | -676 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 177 | 2 | 2 | 2 | 1.5 | CC1(C)NC1C(O)c1ccccc1 | 10.1021/jm00199a012 | |||
29074692 | 159737 | 13 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 339 | 4 | 1 | 5 | 3.4 | COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
8073977 | 159737 | 13 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 339 | 4 | 1 | 5 | 3.4 | COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL4104850 | 159737 | 13 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 339 | 4 | 1 | 5 | 3.4 | COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
2184756 | 55894 | 3 | None | -12 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 285 | 8 | 0 | 3 | 3.3 | CN(C)CCOCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL1623548 | 55894 | 3 | None | -12 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 285 | 8 | 0 | 3 | 3.3 | CN(C)CCOCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
71662246 | 88260 | 0 | None | 11 | 2 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | |||
CHEMBL2348212 | 88260 | 0 | None | 11 | 2 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | |||
29057664 | 158123 | 13 | None | -1 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 309 | 3 | 1 | 4 | 3.4 | Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
8035384 | 158123 | 13 | None | -1 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 309 | 3 | 1 | 4 | 3.4 | Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL4086982 | 158123 | 13 | None | -1 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 309 | 3 | 1 | 4 | 3.4 | Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
44459922 | 96811 | 0 | None | 4 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 230 | 6 | 2 | 4 | 1.8 | C/C(=N/OCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00376a011 | |||
CHEMBL26506 | 96811 | 0 | None | 4 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 230 | 6 | 2 | 4 | 1.8 | C/C(=N/OCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00376a011 | |||
13302060 | 12833 | 0 | None | 112 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 411 | 11 | 2 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL1188509 | 12833 | 0 | None | 112 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 411 | 11 | 2 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL536552 | 12833 | 0 | None | 112 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 411 | 11 | 2 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC | 10.1021/jm00156a028 | |||
21595422 | 102216 | 0 | None | 2 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
CHEMBL302935 | 102216 | 0 | None | 2 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
12606684 | 96072 | 3 | None | -15 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
CHEMBL1161388 | 96072 | 3 | None | -15 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
CHEMBL26003 | 96072 | 3 | None | -15 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
12548683 | 22840 | 0 | None | 2 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
CHEMBL13284 | 22840 | 0 | None | 2 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
10467512 | 99886 | 0 | None | -2 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00376a011 | |||
CHEMBL285972 | 99886 | 0 | None | -2 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00376a011 | |||
13621599 | 9895 | 0 | None | 3981 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 513 | 12 | 3 | 7 | 5.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11431 | 9895 | 0 | None | 3981 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 513 | 12 | 3 | 7 | 5.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | |||
13040884 | 23780 | 0 | None | 15 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 389 | 11 | 2 | 7 | 2.1 | COC(=O)c1ccccc1OCC(O)CNCCc1ccc(OC)c(OC)c1 | 10.1021/jm00354a003 | |||
CHEMBL13358 | 23780 | 0 | None | 15 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 389 | 11 | 2 | 7 | 2.1 | COC(=O)c1ccccc1OCC(O)CNCCc1ccc(OC)c(OC)c1 | 10.1021/jm00354a003 | |||
13621796 | 9446 | 0 | None | 1659 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 480 | 12 | 3 | 8 | 3.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cn2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11178 | 9446 | 0 | None | 1659 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 480 | 12 | 3 | 8 | 3.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cn2)cc1OC | 10.1021/jm00156a028 | |||
13157365 | 127807 | 0 | None | 239 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 465 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(F)(F)F)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL366389 | 127807 | 0 | None | 239 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 465 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(F)(F)F)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
12462216 | 112667 | 0 | None | 2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1cc(Br)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL3246228 | 112667 | 0 | None | 2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1cc(Br)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL3303705 | 112667 | 0 | None | 2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1cc(Br)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
13040883 | 99173 | 1 | None | -1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 297 | 8 | 3 | 6 | 0.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)CO | 10.1021/jm00354a003 | |||
CHEMBL281298 | 99173 | 1 | None | -1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 297 | 8 | 3 | 6 | 0.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)CO | 10.1021/jm00354a003 | |||
13040896 | 102206 | 2 | None | 15 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 293 | 8 | 2 | 5 | 1.6 | COC(=O)/C=C/c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL30289 | 102206 | 2 | None | 15 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 293 | 8 | 2 | 5 | 1.6 | COC(=O)/C=C/c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
9970852 | 110469 | 0 | None | 25 | 2 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 279 | 8 | 2 | 4 | 2.5 | C/C=C/c1ccc(OCC(O)CNC(C)C)c(OC)c1 | 10.1021/jm00207a025 | |||
CHEMBL3247308 | 110469 | 0 | None | 25 | 2 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 279 | 8 | 2 | 4 | 2.5 | C/C=C/c1ccc(OCC(O)CNC(C)C)c(OC)c1 | 10.1021/jm00207a025 | |||
15578573 | 107360 | 2 | None | 25 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 5 | 1.0 | CCOC(=O)CCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
CHEMBL31772 | 107360 | 2 | None | 25 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 5 | 1.0 | CCOC(=O)CCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
13621595 | 7592 | 0 | None | 575 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2Br)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL10879 | 7592 | 0 | None | 575 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2Br)cc1OC | 10.1021/jm00156a028 | |||
13040890 | 104412 | 0 | None | 3 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
CHEMBL31036 | 104412 | 0 | None | 3 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
13040890 | 104412 | 0 | None | 3 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
CHEMBL31036 | 104412 | 0 | None | 3 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
14348818 | 109772 | 0 | None | -5 | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
CHEMBL323176 | 109772 | 0 | None | -5 | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
14348819 | 9421 | 0 | None | - | 1 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 374 | 6 | 4 | 6 | 2.5 | CC(C)(C)NCC(O)COc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
CHEMBL111694 | 9421 | 0 | None | - | 1 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 374 | 6 | 4 | 6 | 2.5 | CC(C)(C)NCC(O)COc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
14348818 | 109772 | 0 | None | -5 | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
CHEMBL323176 | 109772 | 0 | None | -5 | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
13157384 | 78337 | 0 | None | - | 1 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL2093062 | 78337 | 0 | None | - | 1 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL2109975 | 78337 | 0 | None | - | 1 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
54757229 | 65513 | 0 | None | -33 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
CHEMBL1830617 | 65513 | 0 | None | -33 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
44307572 | 203052 | 0 | None | 1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | |||
CHEMBL63582 | 203052 | 0 | None | 1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | |||
54757026 | 65488 | 0 | None | -74 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
CHEMBL1830489 | 65488 | 0 | None | -74 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
173 | 3260 | 95 | None | -69 | 23 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
5011 | 3260 | 95 | None | -69 | 23 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
CHEMBL18772 | 3260 | 95 | None | -69 | 23 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
173 | 3260 | 95 | None | -69 | 23 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
5011 | 3260 | 95 | None | -69 | 23 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
CHEMBL18772 | 3260 | 95 | None | -69 | 23 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
21595420 | 203710 | 0 | None | -1 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1ccc(OC[C@@H](O)[C@@H]2CCCCN2)cc1 | 10.1021/jm00119a011 | |||
CHEMBL67631 | 203710 | 0 | None | -1 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1ccc(OC[C@@H](O)[C@@H]2CCCCN2)cc1 | 10.1021/jm00119a011 | |||
13590031 | 9398 | 0 | None | - | 1 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 414 | 11 | 2 | 7 | 3.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nccs3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11155 | 9398 | 0 | None | - | 1 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 414 | 11 | 2 | 7 | 3.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nccs3)cc2)cc1OC | 10.1021/jm00156a028 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
13157380 | 62135 | 0 | None | 2041 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.8 | COc1ccc(CC(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL177765 | 62135 | 0 | None | 2041 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.8 | COc1ccc(CC(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
13621686 | 9845 | 0 | None | 575 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 469 | 13 | 3 | 8 | 2.8 | CCOC(=O)c1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
CHEMBL11406 | 9845 | 0 | None | 575 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 469 | 13 | 3 | 8 | 2.8 | CCOC(=O)c1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
66653268 | 88249 | 0 | None | 426 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | |||
CHEMBL2348201 | 88249 | 0 | None | 426 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | |||
13157405 | 77963 | 0 | None | 141 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
CHEMBL2096750 | 77963 | 0 | None | 141 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
135817 | 168290 | 15 | None | - | 1 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 391 | 13 | 2 | 5 | 3.2 | CC(C)NCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1 | 10.1021/jm00103a004 | |||
CHEMBL43405 | 168290 | 15 | None | - | 1 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 391 | 13 | 2 | 5 | 3.2 | CC(C)NCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1 | 10.1021/jm00103a004 | |||
13157402 | 168344 | 0 | None | 398 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | OC(CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
CHEMBL434360 | 168344 | 0 | None | 398 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | OC(CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
13621716 | 75946 | 0 | None | 165 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
CHEMBL2052005 | 75946 | 0 | None | 165 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
56599101 | 88246 | 0 | None | 42 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(F)c1 | 10.1021/jm400348g | |||
CHEMBL2348198 | 88246 | 0 | None | 42 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(F)c1 | 10.1021/jm400348g | |||
10467512 | 99886 | 0 | None | -2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
CHEMBL285972 | 99886 | 0 | None | -2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
13621772 | 9261 | 0 | None | 301 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 441 | 14 | 3 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(COCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11080 | 9261 | 0 | None | 301 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 441 | 14 | 3 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(COCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
12521588 | 60379 | 0 | None | 10 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 289 | 6 | 3 | 4 | 2.2 | CC(C)(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00361a004 | |||
CHEMBL174783 | 60379 | 0 | None | 10 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 289 | 6 | 3 | 4 | 2.2 | CC(C)(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00361a004 | |||
13157410 | 128334 | 0 | None | 446 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 287 | 7 | 3 | 4 | 1.9 | Cc1c[nH]c(-c2ccc(OCC(O)CNC3CC3)cc2)n1 | 10.1021/jm00361a004 | |||
CHEMBL366573 | 128334 | 0 | None | 446 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 287 | 7 | 3 | 4 | 1.9 | Cc1c[nH]c(-c2ccc(OCC(O)CNC3CC3)cc2)n1 | 10.1021/jm00361a004 | |||
12521605 | 166337 | 0 | None | 9 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 303 | 6 | 3 | 4 | 2.5 | Cc1c[nH]c(-c2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00361a004 | |||
CHEMBL427297 | 166337 | 0 | None | 9 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 303 | 6 | 3 | 4 | 2.5 | Cc1c[nH]c(-c2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00361a004 | |||
13621758 | 9782 | 0 | None | 3 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 317 | 7 | 3 | 4 | 2.4 | Cc1c[nH]c(Cc2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00156a028 | |||
CHEMBL11362 | 9782 | 0 | None | 3 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 317 | 7 | 3 | 4 | 2.4 | Cc1c[nH]c(Cc2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00156a028 | |||
24208809 | 110437 | 35 | None | -5 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 209 | 5 | 2 | 3 | 1.7 | COc1ccccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
CHEMBL3246226 | 110437 | 35 | None | -5 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 209 | 5 | 2 | 3 | 1.7 | COc1ccccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
2834364 | 35149 | 21 | None | -1 | 3 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
CHEMBL143467 | 35149 | 21 | None | -1 | 3 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
2834364 | 35149 | 21 | None | -1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
CHEMBL143467 | 35149 | 21 | None | -1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
60903220 | 110439 | 2 | None | 1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1cccc(Br)c1 | 10.1021/jm00208a015 | |||
CHEMBL3246229 | 110439 | 2 | None | 1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1cccc(Br)c1 | 10.1021/jm00208a015 | |||
15578561 | 104857 | 0 | None | -1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 0.7 | NC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
CHEMBL31099 | 104857 | 0 | None | -1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 0.7 | NC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
15578559 | 107130 | 0 | None | -1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | CCOC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
CHEMBL31611 | 107130 | 0 | None | -1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | CCOC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
15578570 | 99883 | 0 | None | - | 1 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 3.0 | CCOC(=O)c1cccc(NCC(O)COc2ccccc2C)c1 | 10.1021/jm00354a002 | |||
CHEMBL285958 | 99883 | 0 | None | - | 1 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 3.0 | CCOC(=O)c1cccc(NCC(O)COc2ccccc2C)c1 | 10.1021/jm00354a002 | |||
2803 | 954 | 58 | None | -134 | 19 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | |||
516 | 954 | 58 | None | -134 | 19 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | |||
704 | 954 | 58 | None | -134 | 19 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | |||
CHEMBL134 | 954 | 58 | None | -134 | 19 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | |||
DB00575 | 954 | 58 | None | -134 | 19 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | |||
13157369 | 59729 | 2 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 273 | 7 | 3 | 4 | 1.6 | OC(CNC1CC1)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00361a004 | |||
CHEMBL172431 | 59729 | 2 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 273 | 7 | 3 | 4 | 1.6 | OC(CNC1CC1)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00361a004 | |||
56597179 | 88267 | 0 | None | 501 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
CHEMBL2348219 | 88267 | 0 | None | 501 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
13621593 | 9288 | 0 | None | 204 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 509 | 11 | 3 | 6 | 4.1 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11092 | 9288 | 0 | None | 204 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 509 | 11 | 3 | 6 | 4.1 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | |||
13621626 | 9531 | 0 | None | 741 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(Cl)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
CHEMBL11224 | 9531 | 0 | None | 741 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(Cl)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
54757126 | 65491 | 0 | None | -57 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
CHEMBL1830492 | 65491 | 0 | None | -57 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
56599229 | 88248 | 0 | None | 37 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Cl | 10.1021/jm400348g | |||
CHEMBL2348200 | 88248 | 0 | None | 37 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Cl | 10.1021/jm400348g | |||
56599230 | 88251 | 0 | None | 10 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Br | 10.1021/jm400348g | |||
CHEMBL2348203 | 88251 | 0 | None | 10 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Br | 10.1021/jm400348g | |||
15578577 | 172569 | 0 | None | 1 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | COC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
CHEMBL448775 | 172569 | 0 | None | 1 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | COC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
13040907 | 107076 | 0 | None | 19 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 371 | 12 | 2 | 5 | 2.8 | COC(=O)CCc1ccc(OCC(O)CNCCCc2ccccc2)cc1 | 10.1021/jm00354a003 | |||
CHEMBL31583 | 107076 | 0 | None | 19 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 371 | 12 | 2 | 5 | 2.8 | COC(=O)CCc1ccc(OCC(O)CNCCCc2ccccc2)cc1 | 10.1021/jm00354a003 | |||
59373811 | 110441 | 7 | None | 2 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1cccc(C(O)CNC(C)C)c1 | 10.1021/jm00208a015 | |||
CHEMBL3246233 | 110441 | 7 | None | 2 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1cccc(C(O)CNC(C)C)c1 | 10.1021/jm00208a015 | |||
44279490 | 104646 | 0 | None | 1 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 297 | 9 | 2 | 5 | 1.8 | CCOC(=O)CCNCC(O)COC1=CC=CCC1(C)C | 10.1021/jm00354a002 | |||
CHEMBL31050 | 104646 | 0 | None | 1 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 297 | 9 | 2 | 5 | 1.8 | CCOC(=O)CCNCC(O)COC1=CC=CCC1(C)C | 10.1021/jm00354a002 | |||
15578569 | 110535 | 0 | None | - | 1 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 3.0 | CCOC(=O)c1ccc(NCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
CHEMBL32514 | 110535 | 0 | None | - | 1 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 3.0 | CCOC(=O)c1ccc(NCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
9576814 | 59420 | 6 | None | 2 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
CHEMBL171059 | 59420 | 6 | None | 2 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
21595419 | 102113 | 0 | None | 1 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
CHEMBL302339 | 102113 | 0 | None | 1 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
14201547 | 203563 | 0 | None | -2 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
CHEMBL66702 | 203563 | 0 | None | -2 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
44274623 | 96814 | 3 | None | 7 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 201 | 6 | 2 | 3 | 1.2 | CC(C)(C)NCC(O)COCC1CC1 | 10.1021/jm00376a011 | |||
CHEMBL26507 | 96814 | 3 | None | 7 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 201 | 6 | 2 | 3 | 1.2 | CC(C)(C)NCC(O)COCC1CC1 | 10.1021/jm00376a011 | |||
155774 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | |||
2848 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | |||
538 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | |||
CHEMBL75753 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | |||
DB13781 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | |||
44459541 | 96141 | 0 | None | -1 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 242 | 7 | 2 | 4 | 1.9 | C/C(CC1CC1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
CHEMBL26049 | 96141 | 0 | None | -1 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 242 | 7 | 2 | 4 | 1.9 | C/C(CC1CC1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
12484287 | 109714 | 0 | None | -2 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1ccc2[nH]cnc2c1 | 10.1021/jm00188a019 | |||
CHEMBL3228930 | 109714 | 0 | None | -2 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1ccc2[nH]cnc2c1 | 10.1021/jm00188a019 | |||
54758320 | 65516 | 0 | None | -13 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
CHEMBL1830620 | 65516 | 0 | None | -13 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
54756929 | 65487 | 0 | None | -50 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
CHEMBL1830488 | 65487 | 0 | None | -50 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
5311116 | 2332 | 9 | None | 48 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | |||
544 | 2332 | 9 | None | 48 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | |||
CHEMBL207802 | 2332 | 9 | None | 48 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | |||
56599098 | 88261 | 0 | None | 95 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | |||
CHEMBL2348213 | 88261 | 0 | None | 95 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | |||
13157382 | 62258 | 0 | None | 3981 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 507 | 12 | 3 | 7 | 5.2 | COc1ccc(CC(C)(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
CHEMBL177860 | 62258 | 0 | None | 3981 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 507 | 12 | 3 | 7 | 5.2 | COc1ccc(CC(C)(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
44459890 | 100007 | 0 | None | 8 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 214 | 6 | 2 | 4 | 1.1 | CC(C)(C)NCC(O)CO/N=C\C1CC1 | 10.1021/jm00376a011 | |||
CHEMBL286783 | 100007 | 0 | None | 8 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 214 | 6 | 2 | 4 | 1.1 | CC(C)(C)NCC(O)CO/N=C\C1CC1 | 10.1021/jm00376a011 | |||
54757129 | 65492 | 0 | None | -29 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
CHEMBL1830493 | 65492 | 0 | None | -29 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
56598833 | 88265 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | |||
CHEMBL2348217 | 88265 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | |||
13621725 | 9520 | 1 | None | - | 1 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 389 | 12 | 5 | 5 | 1.8 | CCCCNC(=O)NCCNCC(O)COc1ccc(-c2nc(C)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
CHEMBL11219 | 9520 | 1 | None | - | 1 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 389 | 12 | 5 | 5 | 1.8 | CCCCNC(=O)NCCNCC(O)COc1ccc(-c2nc(C)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
21595421 | 163466 | 0 | None | -28 | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1cccc(OC[C@@H](O)[C@@H]2CCCCN2)c1 | 10.1021/jm00119a011 | |||
CHEMBL419994 | 163466 | 0 | None | -28 | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1cccc(OC[C@@H](O)[C@@H]2CCCCN2)c1 | 10.1021/jm00119a011 | |||
56599100 | 88263 | 0 | None | 12 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | |||
CHEMBL2348215 | 88263 | 0 | None | 12 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | |||
6917762 | 9322 | 9 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
CHEMBL111103 | 9322 | 9 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
54758415 | 65517 | 0 | None | -6 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
CHEMBL1830621 | 65517 | 0 | None | -6 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
20986823 | 156854 | 8 | None | -4 | 2 | Human | 4.0 | pKd | = | 4.0 | Binding | ChEMBL | 243 | 5 | 0 | 3 | 2.6 | CN(C)CCOc1ccc2ccccc2c1C=O | 10.1021/acsmedchemlett.6b00363 | |||
CHEMBL4071616 | 156854 | 8 | None | -4 | 2 | Human | 4.0 | pKd | = | 4.0 | Binding | ChEMBL | 243 | 5 | 0 | 3 | 2.6 | CN(C)CCOc1ccc2ccccc2c1C=O | 10.1021/acsmedchemlett.6b00363 | |||
9849699 | 73262 | 16 | None | -1 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | |||
CHEMBL2012520 | 73262 | 16 | None | -1 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | |||
CHEMBL2012521 | 73262 | 16 | None | -1 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | |||
CHEMBL2012522 | 73262 | 16 | None | -1 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | |||
487 | 792 | 71 | None | -8 | 7 | Mouse | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | |||
569 | 792 | 71 | None | -8 | 7 | Mouse | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | |||
71739 | 792 | 71 | None | -8 | 7 | Mouse | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL324665 | 792 | 71 | None | -8 | 7 | Mouse | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | |||
46889772 | 6993 | 0 | None | 79 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 563 | 8 | 2 | 6 | 5.2 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1084707 | 6993 | 0 | None | 79 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 563 | 8 | 2 | 6 | 5.2 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
2585 | 802 | 103 | None | -1 | 22 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
522 | 802 | 103 | None | -1 | 22 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
551 | 802 | 103 | None | -1 | 22 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
CHEMBL723 | 802 | 103 | None | -1 | 22 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
DB01136 | 802 | 103 | None | -1 | 22 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
185395 | 139844 | 45 | None | -6 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3799125 | 139844 | 45 | None | -6 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
6603756 | 122902 | 4 | None | -2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 279 | 5 | 4 | 5 | 1.4 | CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(O)nc12 | 10.1021/jm000544b | |||
CHEMBL36060 | 122902 | 4 | None | -2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 279 | 5 | 4 | 5 | 1.4 | CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(O)nc12 | 10.1021/jm000544b | |||
127 | 3124 | 52 | None | 2 | 15 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
688095 | 3124 | 52 | None | 2 | 15 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
CHEMBL117405 | 3124 | 52 | None | 2 | 15 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
155548437 | 173769 | 0 | None | -3 | 2 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4537221 | 173769 | 0 | None | -3 | 2 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
2176 | 3125 | 68 | None | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | |||
4828 | 3125 | 68 | None | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | |||
91 | 3125 | 68 | None | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | |||
CHEMBL500 | 3125 | 68 | None | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | |||
DB00960 | 3125 | 68 | None | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | |||
2176 | 3125 | 68 | None | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
4828 | 3125 | 68 | None | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
91 | 3125 | 68 | None | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
CHEMBL500 | 3125 | 68 | None | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
DB00960 | 3125 | 68 | None | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
118710940 | 113748 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 398 | 7 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3CCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323658 | 113748 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 398 | 7 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3CCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
2585 | 802 | 103 | None | -4 | 22 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1016/j.ejmech.2008.05.019 | |||
522 | 802 | 103 | None | -4 | 22 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1016/j.ejmech.2008.05.019 | |||
551 | 802 | 103 | None | -4 | 22 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1016/j.ejmech.2008.05.019 | |||
CHEMBL723 | 802 | 103 | None | -4 | 22 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1016/j.ejmech.2008.05.019 | |||
DB01136 | 802 | 103 | None | -4 | 22 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1016/j.ejmech.2008.05.019 | |||
49864395 | 15635 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221680 | 15635 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
46889812 | 6454 | 0 | None | -10 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 4.4 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1082501 | 6454 | 0 | None | -10 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 4.4 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
155525244 | 170993 | 0 | None | -15 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4456301 | 170993 | 0 | None | -15 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
2685 | 889 | 21 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
541 | 889 | 21 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL280822 | 889 | 21 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
49864380 | 15631 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221637 | 15631 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
2685 | 889 | 21 | None | 1 | 7 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
541 | 889 | 21 | None | 1 | 7 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL280822 | 889 | 21 | None | 1 | 7 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
10075766 | 100420 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 532 | 11 | 5 | 8 | 0.2 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
CHEMBL290313 | 100420 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 532 | 11 | 5 | 8 | 0.2 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
49864333 | 15611 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221541 | 15611 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | |||
33624 | 3819 | 34 | None | -6 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
4061 | 3819 | 34 | None | -6 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
565 | 3819 | 34 | None | -6 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
CHEMBL499 | 3819 | 34 | None | -6 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
DB00373 | 3819 | 34 | None | -6 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
49864460 | 15649 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSc3ccc(Cl)cc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221861 | 15649 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSc3ccc(Cl)cc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
11617407 | 15622 | 0 | None | -4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.9 | CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221590 | 15622 | 0 | None | -4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.9 | CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
11625619 | 77617 | 0 | None | -4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
CHEMBL2088201 | 77617 | 0 | None | -4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
2583 | 205892 | 51 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1021/jm00053a020 | |||
CHEMBL839 | 205892 | 51 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1021/jm00053a020 | |||
DB00521 | 205892 | 51 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1021/jm00053a020 | |||
145947665 | 167680 | 0 | None | 10 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4128794 | 167680 | 0 | None | 10 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4302144 | 167680 | 0 | None | 10 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
52948805 | 17753 | 0 | None | -10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 502 | 9 | 2 | 7 | 5.5 | CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258704 | 17753 | 0 | None | -10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 502 | 9 | 2 | 7 | 5.5 | CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
10132882 | 94507 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 355 | 8 | 2 | 6 | 3.2 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL251599 | 94507 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 355 | 8 | 2 | 6 | 3.2 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | |||
10201549 | 94508 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 409 | 8 | 2 | 6 | 3.9 | O[C@@H](CNCCOc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL251600 | 94508 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 409 | 8 | 2 | 6 | 3.9 | O[C@@H](CNCCOc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
155519891 | 170391 | 0 | None | -3 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | |||
CHEMBL4447975 | 170391 | 0 | None | -3 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | |||
3687256 | 6832 | 7 | None | -12 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083994 | 6832 | 7 | None | -12 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | |||
44444185 | 154756 | 0 | None | -112 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 514 | 13 | 4 | 7 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL400067 | 154756 | 0 | None | -112 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 514 | 13 | 4 | 7 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
681 | 1464 | 72 | None | -44 | 39 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | |||
940 | 1464 | 72 | None | -44 | 39 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | |||
947 | 1464 | 72 | None | -44 | 39 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | |||
CHEMBL59 | 1464 | 72 | None | -44 | 39 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | |||
DB00988 | 1464 | 72 | None | -44 | 39 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | |||
9892481 | 70231 | 14 | None | -3162 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL1940832 | 70231 | 14 | None | -3162 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
59119466 | 112266 | 0 | None | -39 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 436 | 10 | 5 | 7 | 3.3 | COC(=O)c1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290996 | 112266 | 0 | None | -39 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 436 | 10 | 5 | 7 | 3.3 | COC(=O)c1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
2247 | 505 | 81 | None | -128 | 42 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
249 | 505 | 81 | None | -128 | 42 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
2603 | 505 | 81 | None | -128 | 42 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL296419 | 505 | 81 | None | -128 | 42 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
DB00637 | 505 | 81 | None | -128 | 42 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
16735274 | 160033 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL4108123 | 160033 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
1786 | 2518 | 85 | None | -1 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
4171 | 2518 | 85 | None | -1 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
553 | 2518 | 85 | None | -1 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
CHEMBL13 | 2518 | 85 | None | -1 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
DB00264 | 2518 | 85 | None | -1 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
44424578 | 166044 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL425658 | 166044 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
137640201 | 156959 | 2 | None | -8128 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
CHEMBL4072818 | 156959 | 2 | None | -8128 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
44350012 | 18022 | 0 | None | -6 | 3 | Guinea pig | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 363 | 4 | 3 | 7 | 0.4 | CC1CN=C2C(N3CCNCC3)=NC=CN21.O=C(O)C/C=C\CC(=O)O | 10.1021/jm00099a012 | |||
CHEMBL126394 | 18022 | 0 | None | -6 | 3 | Guinea pig | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 363 | 4 | 3 | 7 | 0.4 | CC1CN=C2C(N3CCNCC3)=NC=CN21.O=C(O)C/C=C\CC(=O)O | 10.1021/jm00099a012 | |||
10464801 | 11211 | 0 | None | 3 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178754 | 11211 | 0 | None | 3 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL39682 | 11211 | 0 | None | 3 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
145946294 | 167503 | 0 | None | 3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 302 | 8 | 3 | 5 | 0.3 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4174345 | 167503 | 0 | None | 3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 302 | 8 | 3 | 5 | 0.3 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4299816 | 167503 | 0 | None | 3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 302 | 8 | 3 | 5 | 0.3 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
24936882 | 17580 | 0 | None | -52 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 512 | 9 | 4 | 10 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258143 | 17580 | 0 | None | -52 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 512 | 9 | 4 | 10 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
46889699 | 6646 | 0 | None | -26 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 470 | 8 | 1 | 5 | 4.1 | C=CCc1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083364 | 6646 | 0 | None | -26 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 470 | 8 | 1 | 5 | 4.1 | C=CCc1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
44444195 | 94534 | 0 | None | -87 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccc(Cl)cc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL251764 | 94534 | 0 | None | -87 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccc(Cl)cc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
49864413 | 15641 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221733 | 15641 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
10527469 | 156263 | 3 | None | -22908 | 16 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | |||
CHEMBL40650 | 156263 | 3 | None | -22908 | 16 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | |||
11647002 | 15636 | 0 | None | -22 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221681 | 15636 | 0 | None | -22 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
851833 | 34037 | 92 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cccc(N2CCNCC2)c1Cl | 10.1021/jm400140q | |||
CHEMBL1424807 | 34037 | 92 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cccc(N2CCNCC2)c1Cl | 10.1021/jm400140q | |||
10012704 | 11219 | 0 | None | 1 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178768 | 11219 | 0 | None | 1 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL39987 | 11219 | 0 | None | 1 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
25242459 | 12737 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 7 | 3 | 6 | 2.7 | CC(C)(CO)NCC(O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL1187782 | 12737 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 7 | 3 | 6 | 2.7 | CC(C)(CO)NCC(O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL520600 | 12737 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 7 | 3 | 6 | 2.7 | CC(C)(CO)NCC(O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
44396532 | 66754 | 0 | None | -3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
CHEMBL185836 | 66754 | 0 | None | -3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
72544566 | 93129 | 0 | None | -5 | 5 | Pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 375 | 10 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443009 | 93129 | 0 | None | -5 | 5 | Pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 375 | 10 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
1028 | 291 | 71 | None | -66 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
139148732 | 291 | 71 | None | -66 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
479 | 291 | 71 | None | -66 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
5816 | 291 | 71 | None | -66 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
CHEMBL679 | 291 | 71 | None | -66 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
DB00668 | 291 | 71 | None | -66 | 30 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
44423644 | 85407 | 0 | None | -13 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
CHEMBL226348 | 85407 | 0 | None | -13 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
49864377 | 15628 | 0 | None | -12 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221634 | 15628 | 0 | None | -12 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
36811 | 1453 | 37 | None | -109 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
535 | 1453 | 37 | None | -109 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
937 | 1453 | 37 | None | -109 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
CHEMBL926 | 1453 | 37 | None | -109 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
DB00841 | 1453 | 37 | None | -109 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
1054 | 1584 | 54 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
59768 | 1584 | 54 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
7178 | 1584 | 54 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
CHEMBL768 | 1584 | 54 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
DB00187 | 1584 | 54 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
567 | 724 | 16 | None | -13 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | |||
9841972 | 724 | 16 | None | -13 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | |||
CHEMBL284782 | 724 | 16 | None | -13 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | |||
567 | 724 | 16 | None | -13 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | |||
9841972 | 724 | 16 | None | -13 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | |||
CHEMBL284782 | 724 | 16 | None | -13 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | |||
52948056 | 17517 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257915 | 17517 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
2769774 | 6716 | 17 | None | -16 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 7 | 1 | 4 | 1.5 | C=CCc1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083667 | 6716 | 17 | None | -16 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 7 | 1 | 4 | 1.5 | C=CCc1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
13720717 | 77849 | 0 | None | -3 | 2 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
CHEMBL2092996 | 77849 | 0 | None | -3 | 2 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
4080436 | 6717 | 3 | None | -10 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 1.9 | CC(C)c1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083668 | 6717 | 3 | None | -10 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 1.9 | CC(C)c1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
146025802 | 169576 | 0 | None | 1 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4435895 | 169576 | 0 | None | 1 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
559926 | 97005 | 5 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 5 | 4 | 5 | 1.2 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 | 10.1021/jm00107a027 | |||
CHEMBL266619 | 97005 | 5 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 5 | 4 | 5 | 1.2 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 | 10.1021/jm00107a027 | |||
44444378 | 94253 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL250146 | 94253 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
72545011 | 93124 | 0 | None | -8 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 411 | 8 | 0 | 7 | 2.9 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443004 | 93124 | 0 | None | -8 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 411 | 8 | 0 | 7 | 2.9 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
72545239 | 93126 | 0 | None | -1 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 14 | 0 | 9 | 3.0 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCOCCOCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443006 | 93126 | 0 | None | -1 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 14 | 0 | 9 | 3.0 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCOCCOCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
155512924 | 169697 | 0 | None | -1 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 14 | 3 | 6 | 4.7 | COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4437939 | 169697 | 0 | None | -1 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 14 | 3 | 6 | 4.7 | COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
1028 | 291 | 71 | None | -66 | 30 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
139148732 | 291 | 71 | None | -66 | 30 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
479 | 291 | 71 | None | -66 | 30 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
5816 | 291 | 71 | None | -66 | 30 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
CHEMBL679 | 291 | 71 | None | -66 | 30 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
DB00668 | 291 | 71 | None | -66 | 30 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
49864416 | 15644 | 0 | None | -30 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221736 | 15644 | 0 | None | -30 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
9990035 | 12019 | 0 | None | 4 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL1183337 | 12019 | 0 | None | 4 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL291115 | 12019 | 0 | None | 4 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
44286965 | 160407 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 349 | 9 | 3 | 4 | 3.0 | C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
CHEMBL41113 | 160407 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 349 | 9 | 3 | 4 | 3.0 | C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
11178830 | 148124 | 0 | None | -794 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
CHEMBL393539 | 148124 | 0 | None | -794 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
770558 | 87533 | 65 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 3.1 | FC(F)(F)c1cc(N2CCNCC2)cc(C(F)(F)F)c1 | 10.1021/jm400140q | |||
CHEMBL2335162 | 87533 | 65 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 3.1 | FC(F)(F)c1cc(N2CCNCC2)cc(C(F)(F)F)c1 | 10.1021/jm400140q | |||
59119467 | 112252 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290983 | 112252 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
59119417 | 112256 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290987 | 112256 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
10310564 | 112257 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290988 | 112257 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
59119455 | 112260 | 0 | None | -19 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1 | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290990 | 112260 | 0 | None | -19 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1 | 10.1016/j.bmcl.2014.04.069 | |||
1960 | 2855 | 67 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
439260 | 2855 | 67 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
505 | 2855 | 67 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
CHEMBL1437 | 2855 | 67 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
DB00368 | 2855 | 67 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
1960 | 2855 | 67 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
439260 | 2855 | 67 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
505 | 2855 | 67 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
CHEMBL1437 | 2855 | 67 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
DB00368 | 2855 | 67 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
448537 | 160248 | 89 | None | -50 | 25 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
CHEMBL411 | 160248 | 89 | None | -50 | 25 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
24936492 | 17547 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258026 | 17547 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
46889853 | 6531 | 0 | None | -64 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.7 | COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1082828 | 6531 | 0 | None | -64 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.7 | COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
118710949 | 113759 | 0 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323669 | 113759 | 0 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
10352428 | 101103 | 1 | None | -1 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
CHEMBL295072 | 101103 | 1 | None | -1 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
10136220 | 154822 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 409 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(C3CCCC3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL400392 | 154822 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 409 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(C3CCCC3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
72545238 | 93125 | 0 | None | -25 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 425 | 9 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443005 | 93125 | 0 | None | -25 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 425 | 9 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
1960 | 2855 | 67 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
439260 | 2855 | 67 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
505 | 2855 | 67 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
CHEMBL1437 | 2855 | 67 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
DB00368 | 2855 | 67 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
9821129 | 204438 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 12 | 3 | 6 | 2.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
CHEMBL72169 | 204438 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 12 | 3 | 6 | 2.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
72545008 | 93121 | 0 | None | -1 | 5 | Pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 15 | 0 | 9 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443001 | 93121 | 0 | None | -1 | 5 | Pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 15 | 0 | 9 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
247704 | 290 | 31 | None | -12 | 5 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
4450 | 290 | 31 | None | -12 | 5 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
CHEMBL42280 | 290 | 31 | None | -12 | 5 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
155515982 | 170008 | 0 | None | -51286 | 17 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | |||
CHEMBL4442460 | 170008 | 0 | None | -51286 | 17 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | |||
2146 | 3098 | 67 | None | -3 | 9 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm00076a024 | |||
485 | 3098 | 67 | None | -3 | 9 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm00076a024 | |||
6041 | 3098 | 67 | None | -3 | 9 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm00076a024 | |||
CHEMBL1215 | 3098 | 67 | None | -3 | 9 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm00076a024 | |||
DB00388 | 3098 | 67 | None | -3 | 9 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm00076a024 | |||
11188590 | 77618 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 4.2 | CCC1=C(CC)CC2=C(C1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
CHEMBL2088202 | 77618 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 4.2 | CCC1=C(CC)CC2=C(C1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
7096 | 207476 | 119 | None | -21 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 162 | 1 | 1 | 2 | 1.1 | c1ccc(N2CCNCC2)cc1 | 10.1021/jm400140q | |||
CHEMBL9434 | 207476 | 119 | None | -21 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 162 | 1 | 1 | 2 | 1.1 | c1ccc(N2CCNCC2)cc1 | 10.1021/jm400140q | |||
145946710 | 167555 | 0 | None | -2 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 316 | 7 | 3 | 5 | 0.7 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4161638 | 167555 | 0 | None | -2 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 316 | 7 | 3 | 5 | 0.7 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4300393 | 167555 | 0 | None | -2 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 316 | 7 | 3 | 5 | 0.7 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
4143663 | 6890 | 13 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1084274 | 6890 | 13 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.04.009 | |||
31101 | 728 | 40 | None | -245 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
35 | 728 | 40 | None | -245 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
403 | 728 | 40 | None | -245 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
CHEMBL493 | 728 | 40 | None | -245 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
DB01200 | 728 | 40 | None | -245 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
46889810 | 7414 | 0 | None | -28 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 5.0 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1086542 | 7414 | 0 | None | -28 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 5.0 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
44328703 | 10227 | 0 | None | -1 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1160694 | 10227 | 0 | None | -1 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
1621 | 2427 | 17 | None | -102 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
17 | 2427 | 17 | None | -102 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
5761 | 2427 | 17 | None | -102 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
CHEMBL263881 | 2427 | 17 | None | -102 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
DB04829 | 2427 | 17 | None | -102 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
10291064 | 94478 | 0 | None | -14 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 8 | 2 | 6 | 2.9 | O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL251392 | 94478 | 0 | None | -14 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 8 | 2 | 6 | 2.9 | O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
10436455 | 155921 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 512 | 7 | 3 | 8 | 1.6 | NS(=O)(=O)c1cc(N2CCN(CC(O)COc3cccc4c3SCC(=O)N4)CC2)ccc1Cl | 10.1021/jm00053a020 | |||
CHEMBL40609 | 155921 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 512 | 7 | 3 | 8 | 1.6 | NS(=O)(=O)c1cc(N2CCN(CC(O)COc3cccc4c3SCC(=O)N4)CC2)ccc1Cl | 10.1021/jm00053a020 | |||
52946430 | 17823 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 3.7 | CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258940 | 17823 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 3.7 | CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
25266786 | 181697 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
CHEMBL477672 | 181697 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
4376990 | 193007 | 5 | None | -588 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
CHEMBL5207529 | 193007 | 5 | None | -588 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
CHEMBL5222754 | 193007 | 5 | None | -588 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
688468 | 142330 | 10 | None | -190 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL388570 | 142330 | 10 | None | -190 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
11819522 | 12014 | 0 | None | 4 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL1183318 | 12014 | 0 | None | 4 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL290153 | 12014 | 0 | None | 4 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
24937014 | 17406 | 0 | None | -58 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257554 | 17406 | 0 | None | -58 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
688468 | 142330 | 10 | None | -190 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL388570 | 142330 | 10 | None | -190 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
56677231 | 63637 | 0 | None | -234 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | |||
CHEMBL1800934 | 63637 | 0 | None | -234 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | |||
12828562 | 109704 | 0 | None | 3 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
CHEMBL322842 | 109704 | 0 | None | 3 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
2810 | 67600 | 55 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | |||
CHEMBL1902627 | 67600 | 55 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | |||
2303 | 3185 | 68 | None | -46 | 26 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
4946 | 3185 | 68 | None | -46 | 26 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
564 | 3185 | 68 | None | -46 | 26 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
63 | 3185 | 68 | None | -46 | 26 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
91536 | 3185 | 68 | None | -46 | 26 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
CHEMBL27 | 3185 | 68 | None | -46 | 26 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
CHEMBL452861 | 3185 | 68 | None | -46 | 26 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
DB00571 | 3185 | 68 | None | -46 | 26 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
49864379 | 15630 | 0 | None | -8 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 358 | 8 | 4 | 5 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221636 | 15630 | 0 | None | -8 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 358 | 8 | 4 | 5 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
10049403 | 155298 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 10 | 4 | 6 | 2.6 | NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
CHEMBL40297 | 155298 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 10 | 4 | 6 | 2.6 | NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
10082625 | 13791 | 0 | None | 1 | 3 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
CHEMBL1195526 | 13791 | 0 | None | 1 | 3 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
CHEMBL554785 | 13791 | 0 | None | 1 | 3 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
52943919 | 17719 | 0 | None | -25 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 10 | 2 | 7 | 5.1 | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258597 | 17719 | 0 | None | -25 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 10 | 2 | 7 | 5.1 | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
10273469 | 94252 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL250144 | 94252 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
155521165 | 170555 | 0 | None | 14 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 600 | 17 | 3 | 10 | 4.4 | COc1cc(CCNC[C@H](O)COc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4450085 | 170555 | 0 | None | 14 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 600 | 17 | 3 | 10 | 4.4 | COc1cc(CCNC[C@H](O)COc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
127046949 | 139907 | 0 | None | -23 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 472 | 12 | 3 | 5 | 4.6 | COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3799455 | 139907 | 0 | None | -23 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 472 | 12 | 3 | 5 | 4.6 | COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
6603820 | 95772 | 19 | None | -162 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | |||
CHEMBL25856 | 95772 | 19 | None | -162 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | |||
44444179 | 94140 | 0 | None | -39 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 4.5 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL249359 | 94140 | 0 | None | -39 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 4.5 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
127047221 | 139928 | 0 | None | -6 | 6 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3799593 | 139928 | 0 | None | -6 | 6 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
594115 | 19373 | 2 | None | 3 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1cc(O)c(O)c(F)c1 | 10.1021/jm00076a024 | |||
CHEMBL129190 | 19373 | 2 | None | 3 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1cc(O)c(O)c(F)c1 | 10.1021/jm00076a024 | |||
3042920 | 205006 | 10 | None | -1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.8 | Oc1ccc(C2CNCCO2)cc1O | 10.1021/jm00084a006 | |||
CHEMBL7681 | 205006 | 10 | None | -1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.8 | Oc1ccc(C2CNCCO2)cc1O | 10.1021/jm00084a006 | |||
49864414 | 15642 | 0 | None | -37 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221734 | 15642 | 0 | None | -37 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
145946991 | 167609 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 330 | 9 | 3 | 5 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4163665 | 167609 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 330 | 9 | 3 | 5 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4301131 | 167609 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 330 | 9 | 3 | 5 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
44444393 | 166413 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 353 | 8 | 2 | 6 | 3.1 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)c(C)o1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL427711 | 166413 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 353 | 8 | 2 | 6 | 3.1 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)c(C)o1 | 10.1016/j.bmcl.2007.06.072 | |||
145947060 | 167617 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2cc(OCC(O)CN3CCN(c4ccccn4)CC3)ccc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4126157 | 167617 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2cc(OCC(O)CN3CCN(c4ccccn4)CC3)ccc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4301323 | 167617 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2cc(OCC(O)CN3CCN(c4ccccn4)CC3)ccc12 | 10.1016/j.bmc.2018.04.038 | |||
16735272 | 85810 | 0 | None | -46 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL229614 | 85810 | 0 | None | -46 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
16735272 | 85810 | 0 | None | -46 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL229614 | 85810 | 0 | None | -46 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
1499 | 2089 | 47 | None | -53 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
3779 | 2089 | 47 | None | -53 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
536 | 2089 | 47 | None | -53 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
CHEMBL434 | 2089 | 47 | None | -53 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
DB01064 | 2089 | 47 | None | -53 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
44439167 | 90555 | 0 | None | -158 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
CHEMBL238732 | 90555 | 0 | None | -158 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
2736205 | 87534 | 76 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 222 | 3 | 1 | 4 | 1.1 | COc1cc(OC)cc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
CHEMBL2335163 | 87534 | 76 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 222 | 3 | 1 | 4 | 1.1 | COc1cc(OC)cc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
702318 | 87536 | 76 | None | -19 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)c2ccccc2n1 | 10.1021/jm400140q | |||
CHEMBL2335165 | 87536 | 76 | None | -19 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)c2ccccc2n1 | 10.1021/jm400140q | |||
59119410 | 112263 | 0 | None | -158 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 436 | 11 | 5 | 6 | 4.3 | CC(C)Oc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290993 | 112263 | 0 | None | -158 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 436 | 11 | 5 | 6 | 4.3 | CC(C)Oc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
24885648 | 17134 | 0 | None | -17 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1255596 | 17134 | 0 | None | -17 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
46889852 | 6530 | 0 | None | -79 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 428 | 7 | 2 | 4 | 4.7 | O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1082827 | 6530 | 0 | None | -79 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 428 | 7 | 2 | 4 | 4.7 | O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
127045855 | 139662 | 0 | None | -1 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3797876 | 139662 | 0 | None | -1 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
127045855 | 139662 | 0 | None | -1 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3797876 | 139662 | 0 | None | -1 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
10459124 | 167991 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 513 | 11 | 4 | 7 | 1.4 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
CHEMBL43196 | 167991 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 513 | 11 | 4 | 7 | 1.4 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
1960 | 2855 | 67 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
439260 | 2855 | 67 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
505 | 2855 | 67 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
CHEMBL1437 | 2855 | 67 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
DB00368 | 2855 | 67 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
53379897 | 63644 | 0 | None | -40 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | |||
CHEMBL1800961 | 63644 | 0 | None | -40 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | |||
49864332 | 15610 | 0 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 310 | 7 | 4 | 5 | 2.4 | CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221540 | 15610 | 0 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 310 | 7 | 4 | 5 | 2.4 | CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
49864396 | 15637 | 0 | None | -25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL1221682 | 15637 | 0 | None | -25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
49864396 | 15637 | 0 | None | -25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221682 | 15637 | 0 | None | -25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
49864441 | 15647 | 0 | None | -4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 346 | 7 | 4 | 6 | 2.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221803 | 15647 | 0 | None | -4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 346 | 7 | 4 | 6 | 2.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
14823035 | 141561 | 2 | None | -52 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | |||
CHEMBL38486 | 141561 | 2 | None | -52 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | |||
10379016 | 16490 | 2 | None | 1 | 3 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 1 | 1 | 5 | 0.9 | Brc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | |||
CHEMBL123566 | 16490 | 2 | None | 1 | 3 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 1 | 1 | 5 | 0.9 | Brc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | |||
90469115 | 185840 | 4 | None | -56 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | |||
CHEMBL4867565 | 185840 | 4 | None | -56 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | |||
46889701 | 7075 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 9 | 2 | 6 | 4.0 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1085014 | 7075 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 9 | 2 | 6 | 4.0 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
10131985 | 154638 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL399440 | 154638 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2007.06.072 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm2006782 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm2006782 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm2006782 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm2006782 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm2006782 | |||
16736094 | 85782 | 0 | None | -9 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL229391 | 85782 | 0 | None | -9 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
123133224 | 160710 | 0 | None | -9 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL4113713 | 160710 | 0 | None | -9 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
118710936 | 113744 | 0 | None | -29 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323654 | 113744 | 0 | None | -29 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
319 | 1323 | 44 | None | -154 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
321 | 1323 | 44 | None | -154 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
444031 | 1323 | 44 | None | -154 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
72054 | 1323 | 44 | None | -154 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
784 | 1323 | 44 | None | -154 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
CHEMBL1346 | 1323 | 44 | None | -154 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
DB00496 | 1323 | 44 | None | -154 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
127045854 | 139562 | 0 | None | -13 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3797205 | 139562 | 0 | None | -13 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
10420352 | 168738 | 10 | None | -6 | 4 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | |||
CHEMBL43711 | 168738 | 10 | None | -6 | 4 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | |||
10420352 | 168738 | 10 | None | -6 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
CHEMBL43711 | 168738 | 10 | None | -6 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
10420352 | 168738 | 10 | None | -6 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00076a024 | |||
CHEMBL43711 | 168738 | 10 | None | -6 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00076a024 | |||
10051943 | 16323 | 0 | None | -602 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 507 | 2 | 3 | 3 | 3.7 | Oc1cc2c(cc1O)C(Cc1cc(I)cc(I)c1)NCC2 | 10.1021/jm960208o | |||
CHEMBL122757 | 16323 | 0 | None | -602 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 507 | 2 | 3 | 3 | 3.7 | Oc1cc2c(cc1O)C(Cc1cc(I)cc(I)c1)NCC2 | 10.1021/jm960208o | |||
70684846 | 77612 | 11 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.2 | CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3c1CCC(=O)N3)C2 | 10.1016/j.bmcl.2012.07.096 | |||
CHEMBL2088197 | 77612 | 11 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.2 | CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3c1CCC(=O)N3)C2 | 10.1016/j.bmcl.2012.07.096 | |||
49864440 | 15646 | 0 | None | -29 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 7 | 4 | 7 | 2.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCN(CCN4CCCCCC4)CC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221802 | 15646 | 0 | None | -29 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 7 | 4 | 7 | 2.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCN(CCN4CCCCCC4)CC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
52916803 | 170980 | 18 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL5212743 | |||
CHEMBL4456123 | 170980 | 18 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL5212743 | |||
127035062 | 136449 | 0 | None | -66 | 19 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | |||
CHEMBL3735756 | 136449 | 0 | None | -66 | 19 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | |||
688467 | 85796 | 4 | None | -14 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL229476 | 85796 | 4 | None | -14 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
688467 | 85796 | 4 | None | -14 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL229476 | 85796 | 4 | None | -14 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
132060734 | 163122 | 0 | None | -6 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 391 | 5 | 0 | 4 | 4.0 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
CHEMBL4177497 | 163122 | 0 | None | -6 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 391 | 5 | 0 | 4 | 4.0 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
145990586 | 166841 | 0 | None | -1 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
CHEMBL4285281 | 166841 | 0 | None | -1 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
46889729 | 7076 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 9 | 1 | 5 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1085016 | 7076 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 9 | 1 | 5 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
205951 | 155228 | 19 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 171 | 2 | 3 | 3 | 0.7 | NCCc1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
CHEMBL40268 | 155228 | 19 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 171 | 2 | 3 | 3 | 0.7 | NCCc1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
1499 | 2089 | 47 | None | -53 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
3779 | 2089 | 47 | None | -53 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
536 | 2089 | 47 | None | -53 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
CHEMBL434 | 2089 | 47 | None | -53 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
DB01064 | 2089 | 47 | None | -53 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
8029710 | 87537 | 10 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 320 | 2 | 1 | 6 | 2.7 | CSc1nc(N2CCNCC2)c2sc3c(c2n1)CCCC3 | 10.1021/jm400140q | |||
CHEMBL2335166 | 87537 | 10 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 320 | 2 | 1 | 6 | 2.7 | CSc1nc(N2CCNCC2)c2sc3c(c2n1)CCCC3 | 10.1021/jm400140q | |||
1239 | 1675 | 55 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | |||
3410 | 1675 | 55 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | |||
3465 | 1675 | 55 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL1256786 | 1675 | 55 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | |||
DB00983 | 1675 | 55 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | |||
10311070 | 112258 | 0 | None | -316 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290989 | 112258 | 0 | None | -316 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | |||
25266787 | 181640 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
CHEMBL477466 | 181640 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
49864358 | 15621 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 344 | 7 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221589 | 15621 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 344 | 7 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
9871887 | 103198 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
CHEMBL308351 | 103198 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
9860739 | 148259 | 1 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 288 | 6 | 3 | 3 | 2.8 | O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | |||
CHEMBL393648 | 148259 | 1 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 288 | 6 | 3 | 3 | 2.8 | O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | |||
2303 | 3185 | 68 | None | -10 | 26 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
4946 | 3185 | 68 | None | -10 | 26 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
564 | 3185 | 68 | None | -10 | 26 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
63 | 3185 | 68 | None | -10 | 26 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
91536 | 3185 | 68 | None | -10 | 26 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL27 | 3185 | 68 | None | -10 | 26 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL452861 | 3185 | 68 | None | -10 | 26 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
DB00571 | 3185 | 68 | None | -10 | 26 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
155512746 | 169670 | 0 | None | 19 | 2 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 568 | 22 | 3 | 10 | 3.9 | COc1cc(CCNC[C@H](O)COc2ccc(COCCOC(C)C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4437569 | 169670 | 0 | None | 19 | 2 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 568 | 22 | 3 | 10 | 3.9 | COc1cc(CCNC[C@H](O)COc2ccc(COCCOC(C)C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
131645 | 32151 | 7 | None | 1 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 1.9 | CC(C)(C)NCC(O)COc1cccc2c1SCC(=O)N2 | 10.1016/s0960-894x(00)00016-0 | |||
CHEMBL140908 | 32151 | 7 | None | 1 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 1.9 | CC(C)(C)NCC(O)COc1cccc2c1SCC(=O)N2 | 10.1016/s0960-894x(00)00016-0 | |||
9858463 | 94132 | 0 | None | -19 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2cocn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL249336 | 94132 | 0 | None | -19 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2cocn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
52943969 | 17793 | 0 | None | -23 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 4.3 | CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258825 | 17793 | 0 | None | -23 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 4.3 | CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
2291 | 3182 | 58 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
2561 | 3182 | 58 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
4932 | 3182 | 58 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
CHEMBL631 | 3182 | 58 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
DB01182 | 3182 | 58 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
46889728 | 6715 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 4.7 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3ccccc3C(C)C)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083666 | 6715 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 4.7 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3ccccc3C(C)C)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
118710951 | 113761 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.8 | Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323671 | 113761 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.8 | Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C | 10.1016/j.bmcl.2014.06.014 | |||
172745 | 100121 | 7 | None | -5 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
CHEMBL287587 | 100121 | 7 | None | -5 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
10155942 | 94314 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 369 | 10 | 2 | 7 | 2.6 | COCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL250559 | 94314 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 369 | 10 | 2 | 7 | 2.6 | COCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
72544787 | 93128 | 0 | None | -6 | 5 | Pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 587 | 12 | 3 | 12 | 1.2 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4F)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443008 | 93128 | 0 | None | -6 | 5 | Pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 587 | 12 | 3 | 12 | 1.2 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4F)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
72544789 | 93130 | 0 | None | -9 | 5 | Pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 363 | 9 | 0 | 7 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443010 | 93130 | 0 | None | -9 | 5 | Pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 363 | 9 | 0 | 7 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
1028 | 291 | 71 | None | -66 | 30 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
139148732 | 291 | 71 | None | -66 | 30 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
479 | 291 | 71 | None | -66 | 30 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
5816 | 291 | 71 | None | -66 | 30 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
CHEMBL679 | 291 | 71 | None | -66 | 30 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
DB00668 | 291 | 71 | None | -66 | 30 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
145946965 | 167594 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2c(OCC(O)CN3CCN(c4ccccn4)CC3)cccc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4126588 | 167594 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2c(OCC(O)CN3CCN(c4ccccn4)CC3)cccc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4300897 | 167594 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2c(OCC(O)CN3CCN(c4ccccn4)CC3)cccc12 | 10.1016/j.bmc.2018.04.038 | |||
93601 | 87529 | 101 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1ccc(N2CCNCC2)cc1Cl | 10.1021/jm400140q | |||
CHEMBL2335159 | 87529 | 101 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1ccc(N2CCNCC2)cc1Cl | 10.1021/jm400140q | |||
21138 | 98449 | 39 | None | -4 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | |||
CHEMBL275742 | 98449 | 39 | None | -4 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | |||
52949488 | 17544 | 0 | None | -19 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258023 | 17544 | 0 | None | -19 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
44423646 | 85236 | 0 | None | -4 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
CHEMBL225775 | 85236 | 0 | None | -4 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
16735257 | 85729 | 0 | None | -151 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
CHEMBL228992 | 85729 | 0 | None | -151 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
16735257 | 85729 | 0 | None | -151 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | |||
CHEMBL228992 | 85729 | 0 | None | -151 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | |||
155561031 | 174993 | 0 | None | -1 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4566666 | 174993 | 0 | None | -1 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
10465942 | 13543 | 0 | None | -1 | 3 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
CHEMBL1193821 | 13543 | 0 | None | -1 | 3 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
CHEMBL545289 | 13543 | 0 | None | -1 | 3 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
598754 | 48878 | 65 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)nc2ccccc12 | 10.1021/jm400561w | |||
CHEMBL1559535 | 48878 | 65 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)nc2ccccc12 | 10.1021/jm400561w | |||
443372 | 10232 | 26 | None | -1 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1160723 | 10232 | 26 | None | -1 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL2062275 | 10232 | 26 | None | -1 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
155536406 | 172155 | 0 | None | 1 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4473272 | 172155 | 0 | None | 1 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
1499 | 2089 | 47 | None | -5 | 17 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | |||
3779 | 2089 | 47 | None | -5 | 17 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | |||
536 | 2089 | 47 | None | -5 | 17 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL434 | 2089 | 47 | None | -5 | 17 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | |||
DB01064 | 2089 | 47 | None | -5 | 17 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | |||
10103956 | 11198 | 0 | None | 2 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178707 | 11198 | 0 | None | 2 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
CHEMBL38114 | 11198 | 0 | None | 2 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
2389 | 3329 | 118 | None | -851 | 67 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | |||
5073 | 3329 | 118 | None | -851 | 67 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | |||
96 | 3329 | 118 | None | -851 | 67 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | |||
CHEMBL85 | 3329 | 118 | None | -851 | 67 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | |||
DB00734 | 3329 | 118 | None | -851 | 67 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | |||
598754 | 48878 | 65 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)nc2ccccc12 | 10.1021/jm400140q | |||
CHEMBL1559535 | 48878 | 65 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)nc2ccccc12 | 10.1021/jm400140q | |||
9866060 | 77611 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3[nH]c(=O)c(C)cc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
CHEMBL2088196 | 77611 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3[nH]c(=O)c(C)cc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
44423643 | 142054 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
CHEMBL387852 | 142054 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
44396659 | 67362 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
CHEMBL188622 | 67362 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
52947060 | 17581 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 474 | 8 | 2 | 7 | 4.7 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258144 | 17581 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 474 | 8 | 2 | 7 | 4.7 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
2419 | 3461 | 84 | None | -154 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | |||
5152 | 3461 | 84 | None | -154 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | |||
559 | 3461 | 84 | None | -154 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | |||
CHEMBL1263 | 3461 | 84 | None | -154 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | |||
DB00938 | 3461 | 84 | None | -154 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | |||
10431900 | 63638 | 0 | None | -10 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 413 | 16 | 4 | 4 | 5.3 | OCc1cc(C(O)CNCCCCCCCCCCCc2ccccc2)ccc1O | 10.1016/j.bmc.2009.11.062 | |||
CHEMBL1800935 | 63638 | 0 | None | -10 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 413 | 16 | 4 | 4 | 5.3 | OCc1cc(C(O)CNCCCCCCCCCCCc2ccccc2)ccc1O | 10.1016/j.bmc.2009.11.062 | |||
53387674 | 65161 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 9 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)CF)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
CHEMBL1824265 | 65161 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 9 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)CF)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
127046952 | 140099 | 0 | None | -190 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 421 | 12 | 3 | 5 | 4.5 | COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3800636 | 140099 | 0 | None | -190 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 421 | 12 | 3 | 5 | 4.5 | COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
541614 | 18012 | 1 | None | -3 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 219 | 3 | 4 | 4 | 0.6 | CNCC(O)c1cc(F)c(O)c(O)c1F | 10.1021/jm00076a024 | |||
CHEMBL126347 | 18012 | 1 | None | -3 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 219 | 3 | 4 | 4 | 0.6 | CNCC(O)c1cc(F)c(O)c(O)c1F | 10.1021/jm00076a024 | |||
11218492 | 87526 | 53 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.5 | FC(F)(F)c1ccnc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
CHEMBL2335156 | 87526 | 53 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.5 | FC(F)(F)c1ccnc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
24937013 | 17447 | 0 | None | -33 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257676 | 17447 | 0 | None | -33 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
56645363 | 121488 | 12 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | |||
CHEMBL3582478 | 121488 | 12 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | |||
1043 | 1580 | 14 | None | -26302 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
149 | 1580 | 14 | None | -26302 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
3251 | 1580 | 14 | None | -26302 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
8223 | 1580 | 14 | None | -26302 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
CHEMBL1982133 | 1580 | 14 | None | -26302 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
CHEMBL442 | 1580 | 14 | None | -26302 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
DB00696 | 1580 | 14 | None | -26302 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
15461453 | 172809 | 0 | None | -4 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 4.8 | COc1ccccc1OCCNCCCOc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4513932 | 172809 | 0 | None | -4 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 4.8 | COc1ccccc1OCCNCCCOc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
44288393 | 171652 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 2.7 | CC(C)(C)Nc1cccc2c1SC(OCCCO)C(=O)N2 | 10.1021/jm00053a020 | |||
CHEMBL446609 | 171652 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 2.7 | CC(C)(C)Nc1cccc2c1SC(OCCCO)C(=O)N2 | 10.1021/jm00053a020 | |||
10283146 | 107271 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | |||
CHEMBL317003 | 107271 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | |||
68770 | 44649 | 54 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | 10.1021/acsmedchemlett.9b00075 | |||
CHEMBL152067 | 44649 | 54 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | 10.1021/acsmedchemlett.9b00075 | |||
46889700 | 7074 | 0 | None | -18 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.5 | CC(C)c1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1085013 | 7074 | 0 | None | -18 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.5 | CC(C)c1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
10082076 | 13858 | 0 | None | -10 | 3 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
CHEMBL1195953 | 13858 | 0 | None | -10 | 3 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
CHEMBL555637 | 13858 | 0 | None | -10 | 3 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
15580747 | 65160 | 0 | None | 2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 397 | 8 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
CHEMBL1824264 | 65160 | 0 | None | 2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 397 | 8 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
155526662 | 171184 | 0 | None | -3 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 333 | 9 | 4 | 6 | 1.7 | COc1ccccc1OCCNC[C@@H](O)Cc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4459109 | 171184 | 0 | None | -3 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 333 | 9 | 4 | 6 | 1.7 | COc1ccccc1OCCNC[C@@H](O)Cc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
6603724 | 155329 | 3 | None | 1 | 3 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1021/jm990599h | |||
CHEMBL40317 | 155329 | 3 | None | 1 | 3 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1021/jm990599h | |||
46889768 | 7073 | 0 | None | -27 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 2.8 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1085010 | 7073 | 0 | None | -27 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 2.8 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
16737411 | 143199 | 0 | None | -8 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL389629 | 143199 | 0 | None | -8 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
16737411 | 143199 | 0 | None | -8 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL389629 | 143199 | 0 | None | -8 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
24321330 | 6834 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 4.7 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083996 | 6834 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 4.7 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
46889771 | 6992 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1084706 | 6992 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
72545010 | 93123 | 0 | None | -7 | 5 | Pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 6 | 3 | 10 | -0.4 | COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443003 | 93123 | 0 | None | -7 | 5 | Pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 6 | 3 | 10 | -0.4 | COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
172745 | 100121 | 7 | None | -5 | 6 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00076a024 | |||
CHEMBL287587 | 100121 | 7 | None | -5 | 6 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00076a024 | |||
24733400 | 87535 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 295 | 2 | 1 | 4 | 3.4 | c1csc(-c2cccc3ccc(N4CCNCC4)nc23)c1 | 10.1021/jm400140q | |||
CHEMBL2335164 | 87535 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 295 | 2 | 1 | 4 | 3.4 | c1csc(-c2cccc3ccc(N4CCNCC4)nc23)c1 | 10.1021/jm400140q | |||
10296414 | 3529 | 15 | None | -1995 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | |||
76 | 3529 | 15 | None | -1995 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | |||
CHEMBL183460 | 3529 | 15 | None | -1995 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | |||
44439165 | 145751 | 0 | None | -1000 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
CHEMBL391661 | 145751 | 0 | None | -1000 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
2419 | 3461 | 84 | None | -154 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | |||
5152 | 3461 | 84 | None | -154 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | |||
559 | 3461 | 84 | None | -154 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL1263 | 3461 | 84 | None | -154 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | |||
DB00938 | 3461 | 84 | None | -154 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | |||
2778334 | 87527 | 101 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 232 | 1 | 1 | 4 | 0.9 | FC(F)(F)c1ccnc(N2CCNCC2)n1 | 10.1021/jm400140q | |||
CHEMBL2335157 | 87527 | 101 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 232 | 1 | 1 | 4 | 0.9 | FC(F)(F)c1ccnc(N2CCNCC2)n1 | 10.1021/jm400140q | |||
59119472 | 112255 | 0 | None | -31 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 418 | 9 | 5 | 5 | 4.0 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290986 | 112255 | 0 | None | -31 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 418 | 9 | 5 | 5 | 4.0 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
176 | 398 | 66 | None | -660 | 31 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157 | 398 | 66 | None | -660 | 31 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2566 | 398 | 66 | None | -660 | 31 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL633 | 398 | 66 | None | -660 | 31 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
DB01118 | 398 | 66 | None | -660 | 31 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
52943968 | 17792 | 0 | None | -69 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258824 | 17792 | 0 | None | -69 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
70691181 | 77614 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 7 | 4 | 4 | 3.4 | CCCCc1ccc2c(c1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
CHEMBL2088199 | 77614 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 7 | 4 | 4 | 3.4 | CCCCc1ccc2c(c1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
46889769 | 6718 | 0 | None | -109 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 304 | 8 | 2 | 4 | 1.8 | C=CCc1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083669 | 6718 | 0 | None | -109 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 304 | 8 | 2 | 4 | 1.8 | C=CCc1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
72545240 | 93127 | 0 | None | -16 | 5 | Pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 12 | 0 | 8 | 3.4 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443007 | 93127 | 0 | None | -16 | 5 | Pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 12 | 0 | 8 | 3.4 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
9960584 | 154627 | 0 | None | -436 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL399329 | 154627 | 0 | None | -436 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
44571262 | 12573 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 7 | 2 | 5 | 3.1 | CC(C)(CO)NCCCOc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL1186815 | 12573 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 7 | 2 | 5 | 3.1 | CC(C)(CO)NCCCOc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL479644 | 12573 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 7 | 2 | 5 | 3.1 | CC(C)(CO)NCCCOc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
135398737 | 957 | 93 | None | -144 | 91 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
38 | 957 | 93 | None | -144 | 91 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
722 | 957 | 93 | None | -144 | 91 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
CHEMBL42 | 957 | 93 | None | -144 | 91 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
DB00363 | 957 | 93 | None | -144 | 91 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
1960 | 2855 | 67 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
439260 | 2855 | 67 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
505 | 2855 | 67 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
CHEMBL1437 | 2855 | 67 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
DB00368 | 2855 | 67 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
24886595 | 17644 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258370 | 17644 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
145947253 | 167649 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 364 | 10 | 3 | 5 | 1.2 | CNCC(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4162590 | 167649 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 364 | 10 | 3 | 5 | 1.2 | CNCC(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4301724 | 167649 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 364 | 10 | 3 | 5 | 1.2 | CNCC(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
44112 | 121288 | 48 | None | -2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
CHEMBL357995 | 121288 | 48 | None | -2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
46889643 | 6648 | 0 | None | 4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083368 | 6648 | 0 | None | 4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
155555687 | 174446 | 0 | None | 2 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4553747 | 174446 | 0 | None | 2 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
9924779 | 94438 | 0 | None | -8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 355 | 9 | 3 | 7 | 1.9 | OCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL251180 | 94438 | 0 | None | -8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 355 | 9 | 3 | 7 | 1.9 | OCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
44444191 | 172431 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccccc2Cl)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL447786 | 172431 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccccc2Cl)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
1960 | 2855 | 67 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
439260 | 2855 | 67 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
505 | 2855 | 67 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
CHEMBL1437 | 2855 | 67 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
DB00368 | 2855 | 67 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
42629372 | 63645 | 0 | None | -52 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | |||
CHEMBL1800962 | 63645 | 0 | None | -52 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | |||
10406968 | 113755 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323665 | 113755 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
10466448 | 112881 | 2 | None | -34 | 2 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 231 | 1 | 0 | 5 | 0.8 | Cc1cnc(N2CCN(C)CC2)c2nccn12 | 10.1021/jm00099a012 | |||
CHEMBL330994 | 112881 | 2 | None | -34 | 2 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 231 | 1 | 0 | 5 | 0.8 | Cc1cnc(N2CCN(C)CC2)c2nccn12 | 10.1021/jm00099a012 | |||
24936763 | 17614 | 0 | None | -30 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.9 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258260 | 17614 | 0 | None | -30 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.9 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
24936885 | 17481 | 0 | None | -32 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257797 | 17481 | 0 | None | -32 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
12828570 | 5072 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
CHEMBL105434 | 5072 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
52941476 | 17683 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258484 | 17683 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
155529446 | 171450 | 0 | None | -8 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4463246 | 171450 | 0 | None | -8 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
52941603 | 17297 | 0 | None | -21 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 573 | 9 | 2 | 9 | 3.8 | O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257204 | 17297 | 0 | None | -21 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 573 | 9 | 2 | 9 | 3.8 | O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1 | 10.1016/j.bmcl.2010.08.039 | |||
52947443 | 17612 | 0 | None | -17 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258258 | 17612 | 0 | None | -17 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
2770390 | 6720 | 10 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 10 | 1 | 6 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083672 | 6720 | 10 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 10 | 1 | 6 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
10083242 | 13832 | 1 | None | -8 | 3 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
CHEMBL1195814 | 13832 | 1 | None | -8 | 3 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
CHEMBL555391 | 13832 | 1 | None | -8 | 3 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
44582475 | 181639 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
CHEMBL477465 | 181639 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
2303 | 3185 | 68 | None | -46 | 26 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
4946 | 3185 | 68 | None | -46 | 26 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
564 | 3185 | 68 | None | -46 | 26 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
63 | 3185 | 68 | None | -46 | 26 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
91536 | 3185 | 68 | None | -46 | 26 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
CHEMBL27 | 3185 | 68 | None | -46 | 26 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
CHEMBL452861 | 3185 | 68 | None | -46 | 26 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
DB00571 | 3185 | 68 | None | -46 | 26 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
46889811 | 6453 | 0 | None | -16 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 444 | 8 | 2 | 4 | 5.0 | COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1082500 | 6453 | 0 | None | -16 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 444 | 8 | 2 | 4 | 5.0 | COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
185394 | 139686 | 41 | None | -3 | 5 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3798017 | 139686 | 41 | None | -3 | 5 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
49864356 | 15619 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 330 | 6 | 4 | 5 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221587 | 15619 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 330 | 6 | 4 | 5 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
12147227 | 61990 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | |||
142109147 | 61990 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | |||
44386630 | 61990 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | |||
69921317 | 61990 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | |||
CHEMBL177442 | 61990 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | |||
3914 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
39468 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
431 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
570 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
CHEMBL1201237 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
CHEMBL293030 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
DB01210 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
52946537 | 17721 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258599 | 17721 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
118710941 | 113749 | 0 | None | -5 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323659 | 113749 | 0 | None | -5 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
164451 | 103175 | 14 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 12 | 3 | 6 | 1.6 | O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/0960-894X(96)00417-9 | |||
CHEMBL308150 | 103175 | 14 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 12 | 3 | 6 | 1.6 | O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/0960-894X(96)00417-9 | |||
46889727 | 6647 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(OC)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083366 | 6647 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(OC)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
127046948 | 140068 | 0 | None | -13 | 6 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3800468 | 140068 | 0 | None | -13 | 6 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
15077955 | 155373 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 496 | 10 | 5 | 7 | 0.6 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
CHEMBL40343 | 155373 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 496 | 10 | 5 | 7 | 0.6 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
1028 | 291 | 71 | None | -23 | 30 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
139148732 | 291 | 71 | None | -23 | 30 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
479 | 291 | 71 | None | -23 | 30 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
5816 | 291 | 71 | None | -23 | 30 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
CHEMBL679 | 291 | 71 | None | -23 | 30 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
DB00668 | 291 | 71 | None | -23 | 30 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
53387673 | 65162 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 415 | 9 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
CHEMBL1824266 | 65162 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 415 | 9 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
16736091 | 85730 | 0 | None | -66 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | |||
CHEMBL228996 | 85730 | 0 | None | -66 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | |||
16736091 | 85730 | 0 | None | -66 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
CHEMBL228996 | 85730 | 0 | None | -66 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
25198751 | 12587 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1ccc2oc3ccccc3c(=O)c2c1 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL1186872 | 12587 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1ccc2oc3ccccc3c(=O)c2c1 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL481415 | 12587 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1ccc2oc3ccccc3c(=O)c2c1 | 10.1016/j.bmc.2008.12.031 | |||
10457669 | 161282 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 7 | 2 | 6 | 2.7 | NS(=O)(=O)c1cc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)ccc1Cl | 10.1021/jm00053a020 | |||
CHEMBL41214 | 161282 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 7 | 2 | 6 | 2.7 | NS(=O)(=O)c1cc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)ccc1Cl | 10.1021/jm00053a020 | |||
49864461 | 15650 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 381 | 12 | 4 | 6 | 2.8 | CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221862 | 15650 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 381 | 12 | 4 | 6 | 2.8 | CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
44287337 | 151156 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 9 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
CHEMBL39596 | 151156 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 9 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
11820657 | 13442 | 1 | None | -6 | 2 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc(N3CCNCC3)c2n1 | 10.1021/jm00099a012 | |||
CHEMBL1193017 | 13442 | 1 | None | -6 | 2 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc(N3CCNCC3)c2n1 | 10.1021/jm00099a012 | |||
CHEMBL544354 | 13442 | 1 | None | -6 | 2 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc(N3CCNCC3)c2n1 | 10.1021/jm00099a012 | |||
155534529 | 171961 | 0 | None | -2 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4470694 | 171961 | 0 | None | -2 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
16737412 | 85780 | 0 | None | -3 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL229388 | 85780 | 0 | None | -3 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
16737412 | 85780 | 0 | None | -3 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL229388 | 85780 | 0 | None | -3 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
16736092 | 85781 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL229390 | 85781 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
16736092 | 85781 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL229390 | 85781 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
1239 | 1675 | 55 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | |||
3410 | 1675 | 55 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | |||
3465 | 1675 | 55 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL1256786 | 1675 | 55 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | |||
DB00983 | 1675 | 55 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | |||
153287553 | 171102 | 0 | None | -501 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | |||
CHEMBL4457754 | 171102 | 0 | None | -501 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | |||
10287658 | 112253 | 0 | None | -25 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290984 | 112253 | 0 | None | -25 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
90644154 | 112254 | 0 | None | -5 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc4ccccc34)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290985 | 112254 | 0 | None | -5 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc4ccccc34)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
10310047 | 112261 | 0 | None | -199 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 422 | 11 | 5 | 6 | 3.9 | CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290991 | 112261 | 0 | None | -199 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 422 | 11 | 5 | 6 | 3.9 | CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
1239 | 1675 | 55 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | |||
3410 | 1675 | 55 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | |||
3465 | 1675 | 55 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1256786 | 1675 | 55 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | |||
DB00983 | 1675 | 55 | None | -53 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | |||
46889854 | 7306 | 0 | None | -104 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1086077 | 7306 | 0 | None | -104 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
10140996 | 154916 | 0 | None | -398 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 486 | 11 | 5 | 7 | 3.0 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1O | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL400947 | 154916 | 0 | None | -398 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 486 | 11 | 5 | 7 | 3.0 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1O | 10.1016/j.bmcl.2007.05.030 | |||
1588 | 2323 | 27 | None | -151 | 44 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
28864 | 2323 | 27 | None | -151 | 44 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
43 | 2323 | 27 | None | -151 | 44 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
CHEMBL157138 | 2323 | 27 | None | -151 | 44 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
DB00589 | 2323 | 27 | None | -151 | 44 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
65772 | 60401 | 8 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm990012z | |||
CHEMBL174984 | 60401 | 8 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm990012z | |||
65772 | 60401 | 8 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm960208o | |||
CHEMBL174984 | 60401 | 8 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm960208o | |||
14925759 | 158036 | 6 | None | -11220 | 13 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
CHEMBL4085780 | 158036 | 6 | None | -11220 | 13 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
52943362 | 17546 | 0 | None | -8 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 466 | 8 | 2 | 8 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258025 | 17546 | 0 | None | -8 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 466 | 8 | 2 | 8 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
118710945 | 113753 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 398 | 6 | 4 | 5 | 3.8 | CCc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323663 | 113753 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 398 | 6 | 4 | 5 | 3.8 | CCc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
155529870 | 171503 | 0 | None | -30 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4463925 | 171503 | 0 | None | -30 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
49864381 | 15632 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221638 | 15632 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | |||
44361777 | 118578 | 0 | None | -3 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 429 | 7 | 2 | 7 | 2.3 | COc1ccccc1N1CCN(CC(O)COc2cccc3c2SCC(=O)N3)CC1 | 10.1016/s0960-894x(00)00016-0 | |||
CHEMBL341614 | 118578 | 0 | None | -3 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 429 | 7 | 2 | 7 | 2.3 | COc1ccccc1N1CCN(CC(O)COc2cccc3c2SCC(=O)N3)CC1 | 10.1016/s0960-894x(00)00016-0 | |||
155511898 | 169597 | 0 | None | -12 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 360 | 8 | 2 | 3 | 4.5 | COc1ccccc1OCCNCCc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4436343 | 169597 | 0 | None | -12 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 360 | 8 | 2 | 3 | 4.5 | COc1ccccc1OCCNCCc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
123133225 | 144807 | 0 | None | -5 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL3909417 | 144807 | 0 | None | -5 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
16735263 | 85790 | 0 | None | -5 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL229442 | 85790 | 0 | None | -5 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
123133222 | 160045 | 0 | None | -6 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | |||
CHEMBL4108239 | 160045 | 0 | None | -6 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | |||
16735261 | 85731 | 0 | None | -47 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
CHEMBL228998 | 85731 | 0 | None | -47 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
16735495 | 85784 | 0 | None | -14 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL229401 | 85784 | 0 | None | -14 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
16735495 | 85784 | 0 | None | -14 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL229401 | 85784 | 0 | None | -14 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
44396798 | 169390 | 0 | None | -30 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
CHEMBL442225 | 169390 | 0 | None | -30 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
155521528 | 170602 | 0 | None | -1 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4450756 | 170602 | 0 | None | -1 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
118710944 | 113752 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323662 | 113752 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
15221053 | 204594 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 364 | 11 | 3 | 6 | 2.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
CHEMBL73220 | 204594 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 364 | 11 | 3 | 6 | 2.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
24937269 | 17645 | 0 | None | -1949 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258371 | 17645 | 0 | None | -1949 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
13864389 | 5064 | 2 | None | 8 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
CHEMBL105383 | 5064 | 2 | None | 8 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
16736096 | 142094 | 0 | None | -19 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL388177 | 142094 | 0 | None | -19 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
16736096 | 142094 | 0 | None | -19 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL388177 | 142094 | 0 | None | -19 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
49864355 | 15618 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 5 | 4 | 5 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC34CC5CC(CC(C5)C3)C4)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221586 | 15618 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 5 | 4 | 5 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC34CC5CC(CC(C5)C3)C4)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
172745 | 100121 | 7 | None | -2 | 6 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | |||
CHEMBL287587 | 100121 | 7 | None | -2 | 6 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | |||
24936488 | 17647 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258373 | 17647 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
145947241 | 167630 | 0 | None | -8 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4128940 | 167630 | 0 | None | -8 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4301544 | 167630 | 0 | None | -8 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | |||
145947927 | 167748 | 0 | None | -16 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4130151 | 167748 | 0 | None | -16 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4302997 | 167748 | 0 | None | -16 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
10376053 | 13133 | 0 | None | -2 | 3 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | |||
CHEMBL1190547 | 13133 | 0 | None | -2 | 3 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | |||
CHEMBL541088 | 13133 | 0 | None | -2 | 3 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | |||
10292413 | 94277 | 0 | None | -7 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 9 | 2 | 6 | 3.6 | CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL250352 | 94277 | 0 | None | -7 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 9 | 2 | 6 | 3.6 | CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
10162297 | 153905 | 0 | None | -33 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL398322 | 153905 | 0 | None | -33 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
9947512 | 154704 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 369 | 9 | 2 | 6 | 3.5 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL399785 | 154704 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 369 | 9 | 2 | 6 | 3.5 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | |||
1534 | 103038 | 53 | None | -37 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
9287 | 103038 | 53 | None | -37 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
CHEMBL30713 | 103038 | 53 | None | -37 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
1534 | 103038 | 53 | None | -37 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
9287 | 103038 | 53 | None | -37 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
CHEMBL30713 | 103038 | 53 | None | -37 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
25032872 | 85349 | 0 | None | -102 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 397 | 6 | 1 | 6 | 0.9 | O=C1C2C3C=CC(C3)C2C(=O)N1OCC(O)CN1CCN(c2ccccc2)CC1 | 10.1007/s00044-008-9094-3 | |||
CHEMBL2261429 | 85349 | 0 | None | -102 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 397 | 6 | 1 | 6 | 0.9 | O=C1C2C3C=CC(C3)C2C(=O)N1OCC(O)CN1CCN(c2ccccc2)CC1 | 10.1007/s00044-008-9094-3 | |||
49864334 | 15612 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221542 | 15612 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | |||
118710938 | 113746 | 0 | None | -6 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323656 | 113746 | 0 | None | -6 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
183812 | 205737 | 24 | None | -977 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 13 | 3 | 8 | 2.9 | O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2012.07.096 | |||
CHEMBL82663 | 205737 | 24 | None | -977 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 13 | 3 | 8 | 2.9 | O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2012.07.096 | |||
24937137 | 17756 | 0 | None | -23 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258707 | 17756 | 0 | None | -23 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
11248705 | 90293 | 0 | None | -158 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
CHEMBL238519 | 90293 | 0 | None | -158 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
9512 | 3634 | 42 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | |||
9887812 | 3634 | 42 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | |||
CHEMBL208427 | 3634 | 42 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | |||
DB06190 | 3634 | 42 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | |||
90644140 | 112264 | 0 | None | -25 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 394 | 9 | 6 | 6 | 3.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(O)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290994 | 112264 | 0 | None | -25 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 394 | 9 | 6 | 6 | 3.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(O)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
25242457 | 12596 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 8 | 4 | 7 | 1.0 | CC(CO)(CO)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL1186915 | 12596 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 8 | 4 | 7 | 1.0 | CC(CO)(CO)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL482397 | 12596 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 8 | 4 | 7 | 1.0 | CC(CO)(CO)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
118710950 | 113760 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323670 | 113760 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
118710937 | 113745 | 0 | None | -19 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323655 | 113745 | 0 | None | -19 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
49864412 | 15640 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221732 | 15640 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
10947658 | 28700 | 0 | None | -363 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | |||
CHEMBL137781 | 28700 | 0 | None | -363 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | |||
1960 | 2855 | 67 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
439260 | 2855 | 67 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
505 | 2855 | 67 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
CHEMBL1437 | 2855 | 67 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
DB00368 | 2855 | 67 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
10376607 | 13358 | 0 | None | -1 | 2 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cnc(N2CCNCC2)c2ncc(C)n12 | 10.1021/jm00099a012 | |||
CHEMBL1192423 | 13358 | 0 | None | -1 | 2 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cnc(N2CCNCC2)c2ncc(C)n12 | 10.1021/jm00099a012 | |||
CHEMBL543653 | 13358 | 0 | None | -1 | 2 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cnc(N2CCNCC2)c2ncc(C)n12 | 10.1021/jm00099a012 | |||
131268 | 112900 | 27 | None | -26 | 3 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 203 | 1 | 1 | 5 | 0.1 | c1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
CHEMBL331036 | 112900 | 27 | None | -26 | 3 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 203 | 1 | 1 | 5 | 0.1 | c1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
9967732 | 94162 | 0 | None | -19 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL249534 | 94162 | 0 | None | -19 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
9946573 | 154751 | 0 | None | -10 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 9 | 2 | 6 | 3.0 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL400049 | 154751 | 0 | None | -10 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 9 | 2 | 6 | 3.0 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
127901 | 102132 | 12 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 185 | 3 | 3 | 3 | 0.8 | CNCC(O)c1cccc(O)c1F | 10.1021/jm00076a024 | |||
CHEMBL302451 | 102132 | 12 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 185 | 3 | 3 | 3 | 0.8 | CNCC(O)c1cccc(O)c1F | 10.1021/jm00076a024 | |||
13864381 | 208342 | 3 | None | -39 | 4 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
CHEMBL542683 | 208342 | 3 | None | -39 | 4 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
CHEMBL99361 | 208342 | 3 | None | -39 | 4 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
122237 | 163188 | 16 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 171 | 2 | 3 | 3 | 0.7 | NCCc1cc(O)c(O)cc1F | 10.1021/jm990599h | |||
CHEMBL41818 | 163188 | 16 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 171 | 2 | 3 | 3 | 0.7 | NCCc1cc(O)c(O)cc1F | 10.1021/jm990599h | |||
44444193 | 153813 | 0 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL398241 | 153813 | 0 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
11625333 | 77616 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 4 | 4 | 4 | 3.3 | Cc1c(C)c(C)c2c(c1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
CHEMBL2088200 | 77616 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 4 | 4 | 4 | 3.3 | Cc1c(C)c(C)c2c(c1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
1978 | 250 | 60 | None | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
40 | 250 | 60 | None | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
7107 | 250 | 60 | None | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
CHEMBL642 | 250 | 60 | None | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
DB01193 | 250 | 60 | None | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
16737588 | 85814 | 0 | None | -4 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | nan | |||
CHEMBL229620 | 85814 | 0 | None | -4 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | nan | |||
16737588 | 85814 | 0 | None | -4 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | |||
CHEMBL229620 | 85814 | 0 | None | -4 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | |||
44396596 | 123298 | 0 | None | -3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | |||
CHEMBL361505 | 123298 | 0 | None | -3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
52944986 | 17611 | 0 | None | -30 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258257 | 17611 | 0 | None | -30 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | |||
118710946 | 113754 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.7 | CCOc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323664 | 113754 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.7 | CCOc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
44312421 | 163336 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 13 | 3 | 6 | 2.9 | C[C@H](Cc1ncc(CCCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
CHEMBL419085 | 163336 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 13 | 3 | 6 | 2.9 | C[C@H](Cc1ncc(CCCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
46889767 | 7071 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 400 | 9 | 1 | 5 | 2.4 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1085009 | 7071 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 400 | 9 | 1 | 5 | 2.4 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
49783415 | 17676 | 0 | None | -5888 | 13 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | |||
CHEMBL1258452 | 17676 | 0 | None | -5888 | 13 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | |||
10381669 | 12586 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1ccc2c(=O)c3ccccc3oc2c1 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL1186871 | 12586 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1ccc2c(=O)c3ccccc3oc2c1 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL481414 | 12586 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1ccc2c(=O)c3ccccc3oc2c1 | 10.1016/j.bmc.2008.12.031 | |||
52949934 | 17646 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 398 | 7 | 2 | 7 | 3.0 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258372 | 17646 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 398 | 7 | 2 | 7 | 3.0 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
49864415 | 15643 | 0 | None | -117 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221735 | 15643 | 0 | None | -117 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | |||
1862 | 161 | 18 | None | -52 | 7 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00076a024 | |||
510 | 161 | 18 | None | -52 | 7 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00076a024 | |||
CHEMBL281232 | 161 | 18 | None | -52 | 7 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00076a024 | |||
46889642 | 6953 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3[nH]ccc3c2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1084527 | 6953 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3[nH]ccc3c2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
4806 | 4006 | 88 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
71768094 | 4006 | 88 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
7351 | 4006 | 88 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
9966051 | 4006 | 88 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
CHEMBL2104993 | 4006 | 88 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
DB09068 | 4006 | 88 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
52948792 | 17718 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258596 | 17718 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
44571264 | 12590 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 407 | 8 | 4 | 7 | 1.7 | CC(CO)(CO)NCC(O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL1186886 | 12590 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 407 | 8 | 4 | 7 | 1.7 | CC(CO)(CO)NCC(O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL481799 | 12590 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 407 | 8 | 4 | 7 | 1.7 | CC(CO)(CO)NCC(O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
10207209 | 169224 | 0 | None | -309 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL440961 | 169224 | 0 | None | -309 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
10324985 | 76779 | 8 | None | -354 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | |||
CHEMBL199824 | 76779 | 8 | None | -354 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | |||
CHEMBL2068762 | 76779 | 8 | None | -354 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | |||
16717791 | 77613 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 6 | 3 | 3 | 3.7 | CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
CHEMBL2088198 | 77613 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 6 | 3 | 3 | 3.7 | CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
10236758 | 115770 | 5 | None | -48977 | 13 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
CHEMBL3354065 | 115770 | 5 | None | -48977 | 13 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
44396568 | 67284 | 0 | None | -28 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
CHEMBL188196 | 67284 | 0 | None | -28 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
360400 | 97264 | 2 | None | -1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 237 | 2 | 2 | 4 | 1.9 | CC(C)N1CCOC(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | |||
CHEMBL268881 | 97264 | 2 | None | -1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 237 | 2 | 2 | 4 | 1.9 | CC(C)N1CCOC(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | |||
24937389 | 17446 | 0 | None | -478 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 520 | 10 | 3 | 9 | 4.2 | COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257675 | 17446 | 0 | None | -478 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 520 | 10 | 3 | 9 | 4.2 | COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
52948728 | 17445 | 0 | None | -8 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257674 | 17445 | 0 | None | -8 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
1786 | 2518 | 85 | None | 1 | 11 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
4171 | 2518 | 85 | None | 1 | 11 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
553 | 2518 | 85 | None | 1 | 11 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL13 | 2518 | 85 | None | 1 | 11 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
DB00264 | 2518 | 85 | None | 1 | 11 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
155516656 | 170125 | 0 | None | 40 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 629 | 18 | 4 | 11 | 3.3 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4443911 | 170125 | 0 | None | 40 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 629 | 18 | 4 | 11 | 3.3 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
44444189 | 94494 | 0 | None | -8 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 15 | 4 | 7 | 4.8 | CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL251555 | 94494 | 0 | None | -8 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 15 | 4 | 7 | 4.8 | CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
72545007 | 93120 | 0 | None | -3 | 5 | Pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 407 | 12 | 0 | 8 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443000 | 93120 | 0 | None | -3 | 5 | Pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 407 | 12 | 0 | 8 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
72545009 | 93122 | 0 | None | 1 | 5 | Pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 6 | 3 | 10 | -0.4 | COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
CHEMBL2443002 | 93122 | 0 | None | 1 | 5 | Pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 6 | 3 | 10 | -0.4 | COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
52946357 | 17720 | 0 | None | -11 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258598 | 17720 | 0 | None | -11 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
127045853 | 139791 | 0 | None | -20 | 6 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3798748 | 139791 | 0 | None | -20 | 6 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
11757304 | 100321 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 550 | 11 | 5 | 9 | 0.3 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
CHEMBL289390 | 100321 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 550 | 11 | 5 | 9 | 0.3 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
9984829 | 35142 | 0 | None | -1 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 542 | 11 | 2 | 8 | 3.5 | COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc32)CC1 | 10.1016/s0960-894x(00)00016-0 | |||
CHEMBL143463 | 35142 | 0 | None | -1 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 542 | 11 | 2 | 8 | 3.5 | COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc32)CC1 | 10.1016/s0960-894x(00)00016-0 | |||
2405 | 664 | 76 | None | 2 | 4 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
380 | 664 | 76 | None | 2 | 4 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
7129 | 664 | 76 | None | 2 | 4 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL645 | 664 | 76 | None | 2 | 4 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
DB00612 | 664 | 76 | None | 2 | 4 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
33624 | 3819 | 34 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | |||
4061 | 3819 | 34 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | |||
565 | 3819 | 34 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL499 | 3819 | 34 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | |||
DB00373 | 3819 | 34 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | |||
145948125 | 167737 | 0 | None | -17 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 3.1 | CC(C)(C)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4129458 | 167737 | 0 | None | -17 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 3.1 | CC(C)(C)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4302853 | 167737 | 0 | None | -17 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 3.1 | CC(C)(C)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
68807656 | 113756 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323666 | 113756 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
102262219 | 140057 | 0 | None | -12 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3800400 | 140057 | 0 | None | -12 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
1531 | 2264 | 69 | None | -1 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
3869 | 2264 | 69 | None | -1 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
7207 | 2264 | 69 | None | -1 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
CHEMBL429 | 2264 | 69 | None | -1 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
DB00598 | 2264 | 69 | None | -1 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
10297331 | 94364 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 445 | 12 | 2 | 7 | 4.2 | O[C@@H](CNCCOc1ccc(-c2coc(COCc3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL250760 | 94364 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 445 | 12 | 2 | 7 | 4.2 | O[C@@H](CNCCOc1ccc(-c2coc(COCc3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
10081581 | 11197 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178704 | 11197 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL38033 | 11197 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
10266538 | 116969 | 2 | None | -1 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2ncc(Br)n3ccnc23)CC1 | 10.1021/jm00099a012 | |||
CHEMBL338704 | 116969 | 2 | None | -1 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2ncc(Br)n3ccnc23)CC1 | 10.1021/jm00099a012 | |||
10081581 | 11197 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
CHEMBL1178704 | 11197 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
CHEMBL38033 | 11197 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
10059780 | 12957 | 0 | None | -9 | 3 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
CHEMBL1189347 | 12957 | 0 | None | -9 | 3 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
CHEMBL538537 | 12957 | 0 | None | -9 | 3 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
127047996 | 139644 | 0 | None | -1122 | 6 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 303 | 8 | 3 | 5 | 2.3 | COc1ccccc1OCCNCCc1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3797758 | 139644 | 0 | None | -1122 | 6 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 303 | 8 | 3 | 5 | 2.3 | COc1ccccc1OCCNCCc1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
5806 | 103176 | 20 | None | 1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | |||
CHEMBL30816 | 103176 | 20 | None | 1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | |||
5806 | 103176 | 20 | None | 1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01215 | |||
CHEMBL30816 | 103176 | 20 | None | 1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01215 | |||
10773922 | 157492 | 0 | None | -1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
CHEMBL40796 | 157492 | 0 | None | -1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
16736514 | 143540 | 0 | None | -2 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | nan | |||
CHEMBL389902 | 143540 | 0 | None | -2 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | nan | |||
16736514 | 143540 | 0 | None | -2 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | |||
CHEMBL389902 | 143540 | 0 | None | -2 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | |||
44424581 | 143333 | 0 | None | 1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL389734 | 143333 | 0 | None | 1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
16735276 | 145980 | 0 | None | 1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL3918348 | 145980 | 0 | None | 1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
4276762 | 6952 | 10 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 530 | 8 | 1 | 6 | 4.9 | COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C(C)(C)C)c1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1084526 | 6952 | 10 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 530 | 8 | 1 | 6 | 4.9 | COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C(C)(C)C)c1 | 10.1016/j.bmcl.2010.04.009 | |||
127046951 | 139900 | 0 | None | -11 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3799427 | 139900 | 0 | None | -11 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
70541 | 87532 | 89 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 1 | 1 | 2 | 1.7 | Cc1cccc(N2CCNCC2)c1C | 10.1021/jm400140q | |||
CHEMBL2335161 | 87532 | 89 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 1 | 1 | 2 | 1.7 | Cc1cccc(N2CCNCC2)c1C | 10.1021/jm400140q | |||
23728722 | 123550 | 30 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.1 | CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1 | 10.6019/CHEMBL5212743 | |||
CHEMBL3617968 | 123550 | 30 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.1 | CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1 | 10.6019/CHEMBL5212743 | |||
1786 | 2518 | 85 | None | -1 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
4171 | 2518 | 85 | None | -1 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
553 | 2518 | 85 | None | -1 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL13 | 2518 | 85 | None | -1 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
DB00264 | 2518 | 85 | None | -1 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
2419 | 3461 | 84 | None | -15 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
5152 | 3461 | 84 | None | -15 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
559 | 3461 | 84 | None | -15 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL1263 | 3461 | 84 | None | -15 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
DB00938 | 3461 | 84 | None | -15 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
10512270 | 165357 | 9 | None | -5 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
CHEMBL42370 | 165357 | 9 | None | -5 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
24937390 | 17613 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 8 | 3 | 8 | 4.4 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258259 | 17613 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 8 | 3 | 8 | 4.4 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
10207208 | 154165 | 0 | None | -63 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL398557 | 154165 | 0 | None | -63 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
24937016 | 17755 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258706 | 17755 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
44351358 | 116939 | 5 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 205 | 2 | 4 | 4 | 0.4 | NCC(O)c1cc(F)c(O)c(O)c1F | 10.1021/jm00076a024 | |||
CHEMBL338564 | 116939 | 5 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 205 | 2 | 4 | 4 | 0.4 | NCC(O)c1cc(F)c(O)c(O)c1F | 10.1021/jm00076a024 | |||
44444188 | 94493 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1cccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL251554 | 94493 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1cccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
3931 | 2246 | 48 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
9829836 | 2246 | 48 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
CHEMBL12998 | 2246 | 48 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
118710942 | 113750 | 0 | None | -8 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323660 | 113750 | 0 | None | -8 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | |||
49864378 | 15629 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221635 | 15629 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
15221055 | 204413 | 0 | None | -5 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 368 | 9 | 3 | 5 | 3.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | |||
CHEMBL72060 | 204413 | 0 | None | -5 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 368 | 9 | 3 | 5 | 3.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | |||
44286983 | 141708 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 362 | 9 | 3 | 4 | 2.5 | C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
CHEMBL38569 | 141708 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 362 | 9 | 3 | 4 | 2.5 | C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
118710947 | 113757 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 386 | 8 | 4 | 5 | 3.4 | CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323667 | 113757 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 386 | 8 | 4 | 5 | 3.4 | CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
146025803 | 176175 | 0 | None | 1 | 2 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4593181 | 176175 | 0 | None | 1 | 2 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
146025801 | 170629 | 0 | None | -1 | 2 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4451135 | 170629 | 0 | None | -1 | 2 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
118710935 | 113743 | 0 | None | -9 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323653 | 113743 | 0 | None | -9 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
49864397 | 15638 | 0 | None | -8 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221683 | 15638 | 0 | None | -8 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
559929 | 4898 | 11 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F | 10.1021/jm00107a027 | |||
CHEMBL10453 | 4898 | 11 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F | 10.1021/jm00107a027 | |||
24936881 | 17515 | 0 | None | -10 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257913 | 17515 | 0 | None | -10 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
9816183 | 100545 | 6 | None | -5 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL29141 | 100545 | 6 | None | -5 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
24936491 | 17518 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257916 | 17518 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
10140092 | 94503 | 0 | None | -114 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL251581 | 94503 | 0 | None | -114 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
13599050 | 96963 | 2 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 251 | 2 | 3 | 4 | 1.8 | CC(C)N1CCCC(O)(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | |||
CHEMBL266290 | 96963 | 2 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 251 | 2 | 3 | 4 | 1.8 | CC(C)N1CCCC(O)(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | |||
44423640 | 142053 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | |||
CHEMBL387851 | 142053 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | |||
16737587 | 160290 | 0 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL4110387 | 160290 | 0 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
44424580 | 85812 | 0 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL229616 | 85812 | 0 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
10544781 | 204683 | 0 | None | -10 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 5 | 2 | 7 | 2.2 | COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC | 10.1021/jm990012z | |||
CHEMBL73917 | 204683 | 0 | None | -10 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 5 | 2 | 7 | 2.2 | COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC | 10.1021/jm990012z | |||
118710939 | 113747 | 0 | None | -14 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.7 | CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323657 | 113747 | 0 | None | -14 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.7 | CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | |||
24936626 | 17407 | 0 | None | -87 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257555 | 17407 | 0 | None | -87 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
10316512 | 16865 | 2 | None | 18 | 2 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 359 | 1 | 1 | 5 | 1.7 | Brc1cnc(N2CCNCC2)c2ncc(Br)n12 | 10.1021/jm00099a012 | |||
CHEMBL124926 | 16865 | 2 | None | 18 | 2 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 359 | 1 | 1 | 5 | 1.7 | Brc1cnc(N2CCNCC2)c2ncc(Br)n12 | 10.1021/jm00099a012 | |||
11779308 | 18501 | 8 | None | -4 | 2 | Guinea pig | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2nccn3c(Br)cnc23)CC1 | 10.1021/jm00099a012 | |||
CHEMBL127318 | 18501 | 8 | None | -4 | 2 | Guinea pig | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2nccn3c(Br)cnc23)CC1 | 10.1021/jm00099a012 | |||
541604 | 165337 | 10 | None | -91 | 4 | Guinea pig | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00118a019 | |||
CHEMBL42359 | 165337 | 10 | None | -91 | 4 | Guinea pig | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00118a019 | |||
1862 | 161 | 18 | None | -52 | 7 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm990599h | |||
510 | 161 | 18 | None | -52 | 7 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm990599h | |||
CHEMBL281232 | 161 | 18 | None | -52 | 7 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm990599h | |||
541604 | 165337 | 10 | None | -91 | 4 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00076a024 | |||
CHEMBL42359 | 165337 | 10 | None | -91 | 4 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00076a024 | |||
90644153 | 112251 | 0 | None | -19 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 470 | 11 | 5 | 6 | 5.3 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(Oc4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290982 | 112251 | 0 | None | -19 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 470 | 11 | 5 | 6 | 5.3 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(Oc4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
173 | 3260 | 95 | None | -69 | 23 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
5011 | 3260 | 95 | None | -69 | 23 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
CHEMBL18772 | 3260 | 95 | None | -69 | 23 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
44312269 | 204437 | 0 | None | 2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 382 | 10 | 3 | 5 | 3.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | |||
CHEMBL72168 | 204437 | 0 | None | 2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 382 | 10 | 3 | 5 | 3.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | |||
44423641 | 85395 | 0 | None | -12 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | |||
CHEMBL226293 | 85395 | 0 | None | -12 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | |||
2812 | 4777 | 101 | None | -38 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
CHEMBL104 | 4777 | 101 | None | -38 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
11432806 | 66195 | 0 | None | -16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
CHEMBL184407 | 66195 | 0 | None | -16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
11432806 | 66195 | 0 | None | -16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
CHEMBL184407 | 66195 | 0 | None | -16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
118710935 | 113743 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323653 | 113743 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
44423645 | 85408 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
CHEMBL226349 | 85408 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
145946829 | 167567 | 0 | None | 4 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 380 | 11 | 3 | 6 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4170519 | 167567 | 0 | None | 4 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 380 | 11 | 3 | 6 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4300598 | 167567 | 0 | None | 4 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 380 | 11 | 3 | 6 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
49864439 | 15645 | 0 | None | -4 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 390 | 5 | 4 | 5 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221801 | 15645 | 0 | None | -4 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 390 | 5 | 4 | 5 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
594590 | 72848 | 95 | None | 39 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 201 | 1 | 2 | 2 | 1.6 | c1cc(N2CCNCC2)c2cc[nH]c2c1 | 10.1021/jm400140q | |||
CHEMBL200234 | 72848 | 95 | None | 39 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 201 | 1 | 2 | 2 | 1.6 | c1cc(N2CCNCC2)c2cc[nH]c2c1 | 10.1021/jm400140q | |||
1499 | 2089 | 47 | None | -33 | 17 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | |||
3779 | 2089 | 47 | None | -33 | 17 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | |||
536 | 2089 | 47 | None | -33 | 17 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | |||
CHEMBL434 | 2089 | 47 | None | -33 | 17 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | |||
DB01064 | 2089 | 47 | None | -33 | 17 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | |||
44361634 | 34648 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 6 | 2 | 6 | 2.4 | O=C1CSc2c(cccc2OCC(O)CN2CCN(c3ccc(F)cc3)CC2)N1 | 10.1016/s0960-894x(00)00016-0 | |||
CHEMBL142995 | 34648 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 6 | 2 | 6 | 2.4 | O=C1CSc2c(cccc2OCC(O)CN2CCN(c3ccc(F)cc3)CC2)N1 | 10.1016/s0960-894x(00)00016-0 | |||
24936625 | 17482 | 0 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257798 | 17482 | 0 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
3207225 | 87538 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 302 | 1 | 1 | 5 | 2.5 | Cc1nc(N2CCNCC2)c2c3c(sc2n1)CC(C)CC3 | 10.1021/jm400140q | |||
CHEMBL2335167 | 87538 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 302 | 1 | 1 | 5 | 2.5 | Cc1nc(N2CCNCC2)c2c3c(sc2n1)CC(C)CC3 | 10.1021/jm400140q | |||
594590 | 72848 | 95 | None | 39 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 201 | 1 | 2 | 2 | 1.6 | c1cc(N2CCNCC2)c2cc[nH]c2c1 | 10.1021/jm400561w | |||
CHEMBL200234 | 72848 | 95 | None | 39 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 201 | 1 | 2 | 2 | 1.6 | c1cc(N2CCNCC2)c2cc[nH]c2c1 | 10.1021/jm400561w | |||
12582 | 949 | 45 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
2783 | 949 | 45 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
CHEMBL49080 | 949 | 45 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
DB01407 | 949 | 45 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
10231679 | 94313 | 0 | None | -36 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 572 | 14 | 4 | 7 | 4.4 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL250553 | 94313 | 0 | None | -36 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 572 | 14 | 4 | 7 | 4.4 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
46889670 | 7010 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 5.2 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1084772 | 7010 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 5.2 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
2303 | 3185 | 68 | None | -46 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
4946 | 3185 | 68 | None | -46 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
564 | 3185 | 68 | None | -46 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
63 | 3185 | 68 | None | -46 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
91536 | 3185 | 68 | None | -46 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
CHEMBL27 | 3185 | 68 | None | -46 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
CHEMBL452861 | 3185 | 68 | None | -46 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
DB00571 | 3185 | 68 | None | -46 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
15077948 | 141639 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 514 | 10 | 5 | 8 | 0.8 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
CHEMBL38532 | 141639 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 514 | 10 | 5 | 8 | 0.8 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
9982903 | 169062 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 486 | 10 | 5 | 8 | 1.5 | NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
CHEMBL43968 | 169062 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 486 | 10 | 5 | 8 | 1.5 | NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
118710948 | 113758 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 386 | 9 | 4 | 5 | 3.5 | CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323668 | 113758 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 386 | 9 | 4 | 5 | 3.5 | CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
44433250 | 89075 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 340 | 6 | 3 | 3 | 3.5 | O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | |||
CHEMBL236514 | 89075 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 340 | 6 | 3 | 3 | 3.5 | O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | |||
11647002 | 15636 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL1221681 | 15636 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
52943932 | 17754 | 0 | None | -16 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 8 | 2 | 8 | 4.2 | N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258705 | 17754 | 0 | None | -16 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 8 | 2 | 8 | 4.2 | N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
155564274 | 175420 | 0 | None | 19 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 643 | 19 | 4 | 11 | 3.7 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4576034 | 175420 | 0 | None | 19 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 643 | 19 | 4 | 11 | 3.7 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
52947562 | 17685 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258486 | 17685 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
46889730 | 7127 | 0 | None | -42 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 436 | 8 | 1 | 5 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1085270 | 7127 | 0 | None | -42 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 436 | 8 | 1 | 5 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
9958539 | 103103 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1021/jm990012z | |||
CHEMBL307647 | 103103 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1021/jm990012z | |||
4189 | 206920 | 96 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL1559 | 206920 | 96 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL91 | 206920 | 96 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
44444187 | 94465 | 0 | None | -23 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
CHEMBL251347 | 94465 | 0 | None | -23 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
5187268 | 6575 | 12 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 501 | 9 | 1 | 6 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083053 | 6575 | 12 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 501 | 9 | 1 | 6 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
155524756 | 171002 | 0 | None | 1 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
CHEMBL4456505 | 171002 | 0 | None | 1 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
155540000 | 172879 | 0 | None | 1 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4515498 | 172879 | 0 | None | 1 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
3198 | 205511 | 76 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 205511 | 76 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 205511 | 76 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
2723782 | 87531 | 85 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 190 | 1 | 1 | 2 | 1.7 | Cc1ccc(N2CCNCC2)cc1C | 10.1021/jm400140q | |||
CHEMBL2335160 | 87531 | 85 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 190 | 1 | 1 | 2 | 1.7 | Cc1ccc(N2CCNCC2)cc1C | 10.1021/jm400140q | |||
13720716 | 63051 | 0 | None | -1 | 2 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
CHEMBL1788251 | 63051 | 0 | None | -1 | 2 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
255 | 512 | 111 | None | -5 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
548 | 512 | 111 | None | -5 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
10472143 | 119275 | 0 | None | -169 | 16 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | |||
CHEMBL343755 | 119275 | 0 | None | -169 | 16 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | |||
46889809 | 6645 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 5.0 | O=C1c2cccc3cccc(c23)C(=O)N1C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083363 | 6645 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 5.0 | O=C1c2cccc3cccc(c23)C(=O)N1C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
10375227 | 11215 | 0 | None | 2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178761 | 11215 | 0 | None | 2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL39873 | 11215 | 0 | None | 2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
12353629 | 203921 | 0 | None | -23 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 237 | 2 | 4 | 4 | 1.4 | CC(C)N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | |||
CHEMBL6913 | 203921 | 0 | None | -23 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 237 | 2 | 4 | 4 | 1.4 | CC(C)N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | |||
9908924 | 141653 | 0 | None | -9 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
CHEMBL38538 | 141653 | 0 | None | -9 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
75201901 | 166423 | 19 | None | -562 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4277264 | 166423 | 19 | None | -562 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
118710943 | 113751 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL3323661 | 113751 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
63180 | 76791 | 10 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 411 | 7 | 2 | 7 | 2.7 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
CHEMBL1824263 | 76791 | 10 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 411 | 7 | 2 | 7 | 2.7 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
CHEMBL2068824 | 76791 | 10 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 411 | 7 | 2 | 7 | 2.7 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
44571260 | 12733 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 7 | 1 | 4 | 3.5 | C=CCNCCCOc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL1187740 | 12733 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 7 | 1 | 4 | 3.5 | C=CCNCCCOc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL517532 | 12733 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 7 | 1 | 4 | 3.5 | C=CCNCCCOc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
16735494 | 142050 | 0 | None | -3 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
CHEMBL387825 | 142050 | 0 | None | -3 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
16735494 | 142050 | 0 | None | -3 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
CHEMBL387825 | 142050 | 0 | None | -3 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
11776640 | 13544 | 0 | None | -16 | 3 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
CHEMBL1193824 | 13544 | 0 | None | -16 | 3 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
CHEMBL545293 | 13544 | 0 | None | -16 | 3 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
49864394 | 15634 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 322 | 4 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221679 | 15634 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 322 | 4 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
2419 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | |||
5152 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | |||
559 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL1263 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | |||
DB00938 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | |||
127047859 | 140049 | 0 | None | -28 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 12 | 3 | 6 | 4.1 | COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3800341 | 140049 | 0 | None | -28 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 12 | 3 | 6 | 4.1 | COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
9871887 | 103198 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm990012z | |||
CHEMBL308351 | 103198 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm990012z | |||
9871887 | 103198 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
CHEMBL308351 | 103198 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
9934284 | 90294 | 0 | None | -1995 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
CHEMBL238520 | 90294 | 0 | None | -1995 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
90644139 | 112262 | 0 | None | -100 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 10 | 5 | 6 | 4.2 | CSc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290992 | 112262 | 0 | None | -100 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 10 | 5 | 6 | 4.2 | CSc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
90644141 | 112265 | 0 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 9 | 5 | 5 | 3.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(F)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290995 | 112265 | 0 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 9 | 5 | 5 | 3.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(F)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
145946259 | 167522 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 350 | 9 | 3 | 5 | 1.1 | CNCC(O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4170536 | 167522 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 350 | 9 | 3 | 5 | 1.1 | CNCC(O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
CHEMBL4300084 | 167522 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 350 | 9 | 3 | 5 | 1.1 | CNCC(O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
90644146 | 112243 | 0 | None | -5 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 460 | 10 | 4 | 5 | 4.2 | OCc1cc(C(O)CNCCc2ccc(N3CCC(Cc4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
CHEMBL3290975 | 112243 | 0 | None | -5 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 460 | 10 | 4 | 5 | 4.2 | OCc1cc(C(O)CNCCc2ccc(N3CCC(Cc4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
49864442 | 15648 | 0 | None | -27 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 8 | 4 | 6 | 2.4 | CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221804 | 15648 | 0 | None | -27 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 8 | 4 | 6 | 2.4 | CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 | 10.1016/j.bmcl.2010.06.136 | |||
1499 | 2089 | 47 | None | -33 | 17 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | |||
3779 | 2089 | 47 | None | -33 | 17 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | |||
536 | 2089 | 47 | None | -33 | 17 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | |||
CHEMBL434 | 2089 | 47 | None | -33 | 17 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | |||
DB01064 | 2089 | 47 | None | -33 | 17 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | |||
4421983 | 7277 | 5 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 484 | 9 | 1 | 5 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1086005 | 7277 | 5 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 484 | 9 | 1 | 5 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
1499 | 2089 | 47 | None | -33 | 17 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | |||
3779 | 2089 | 47 | None | -33 | 17 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | |||
536 | 2089 | 47 | None | -33 | 17 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | |||
CHEMBL434 | 2089 | 47 | None | -33 | 17 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | |||
DB01064 | 2089 | 47 | None | -33 | 17 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | |||
129896798 | 182665 | 40 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 366 | 7 | 2 | 3 | 4.5 | Cc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1 | 10.1021/acs.jmedchem.0c01450 | |||
CHEMBL4789047 | 182665 | 40 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 366 | 7 | 2 | 3 | 4.5 | Cc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1 | 10.1021/acs.jmedchem.0c01450 | |||
12353620 | 204342 | 1 | None | -66 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 195 | 0 | 4 | 4 | 0.4 | N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | |||
CHEMBL7160 | 204342 | 1 | None | -66 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 195 | 0 | 4 | 4 | 0.4 | N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | |||
2419 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | |||
5152 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | |||
559 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1263 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | |||
DB00938 | 3461 | 84 | None | -154 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | |||
44351377 | 117803 | 1 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 203 | 3 | 3 | 3 | 0.9 | CNCC(O)c1c(F)ccc(O)c1F | 10.1021/jm00076a024 | |||
CHEMBL340189 | 117803 | 1 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 203 | 3 | 3 | 3 | 0.9 | CNCC(O)c1c(F)ccc(O)c1F | 10.1021/jm00076a024 | |||
15077956 | 169226 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 477 | 10 | 4 | 6 | 1.9 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
CHEMBL44097 | 169226 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 477 | 10 | 4 | 6 | 1.9 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
2464 | 3638 | 58 | None | -2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
5253 | 3638 | 58 | None | -2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
7297 | 3638 | 58 | None | -2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
CHEMBL471 | 3638 | 58 | None | -2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
DB00489 | 3638 | 58 | None | -2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
9928332 | 97178 | 5 | None | -416 | 9 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/0960-894X(95)00398-D | |||
CHEMBL268258 | 97178 | 5 | None | -416 | 9 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/0960-894X(95)00398-D | |||
44570783 | 12595 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL1186914 | 12595 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL482396 | 12595 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
127046950 | 140043 | 0 | None | -4 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL3800303 | 140043 | 0 | None | -4 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
127046950 | 140043 | 0 | None | -4 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
CHEMBL3800303 | 140043 | 0 | None | -4 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
2736067 | 87528 | 73 | None | 93 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cc(Cl)cc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
CHEMBL2335158 | 87528 | 73 | None | 93 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cc(Cl)cc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
10442852 | 11212 | 0 | None | -1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL1178755 | 11212 | 0 | None | -1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
CHEMBL39706 | 11212 | 0 | None | -1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
10012704 | 11219 | 0 | None | 1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
CHEMBL1178768 | 11219 | 0 | None | 1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
CHEMBL39987 | 11219 | 0 | None | 1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
146025727 | 171683 | 0 | None | -316 | 27 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4466483 | 171683 | 0 | None | -316 | 27 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442572 | 171906 | 0 | None | -181 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4469848 | 171906 | 0 | None | -181 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
145946488 | 167535 | 0 | None | -46 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4127540 | 167535 | 0 | None | -46 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
CHEMBL4300195 | 167535 | 0 | None | -46 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
52943770 | 17365 | 0 | None | -9 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 492 | 8 | 4 | 9 | 3.8 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257438 | 17365 | 0 | None | -9 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 492 | 8 | 4 | 9 | 3.8 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | |||
181743 | 178570 | 5 | None | -4265 | 22 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
CHEMBL467094 | 178570 | 5 | None | -4265 | 22 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
155513731 | 169791 | 0 | None | -2 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
CHEMBL4439238 | 169791 | 0 | None | -2 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
25120700 | 81237 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.0 | COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.02.023 | |||
CHEMBL2158704 | 81237 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.0 | COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.02.023 | |||
65772 | 60401 | 8 | None | -4 | 6 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
CHEMBL174984 | 60401 | 8 | None | -4 | 6 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
131487 | 4979 | 13 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F | 10.1021/jm00107a027 | |||
CHEMBL10494 | 4979 | 13 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F | 10.1021/jm00107a027 | |||
44396729 | 66860 | 0 | None | -34 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
CHEMBL186247 | 66860 | 0 | None | -34 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
46889770 | 6719 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 7 | 2 | 4 | 2.2 | CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
CHEMBL1083670 | 6719 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 7 | 2 | 4 | 2.2 | CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
49864335 | 15613 | 0 | None | -4 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 5 | 4 | 5 | 3.1 | CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221543 | 15613 | 0 | None | -4 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 5 | 4 | 5 | 3.1 | CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
49864357 | 15620 | 0 | None | -45 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 397 | 6 | 4 | 7 | 3.1 | Cc1onc(-c2ccccc2)c1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1221588 | 15620 | 0 | None | -45 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 397 | 6 | 4 | 7 | 3.1 | Cc1onc(-c2ccccc2)c1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
4183 | 2023 | 68 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | |||
6918554 | 2023 | 68 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | |||
7455 | 2023 | 68 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | |||
CHEMBL1095777 | 2023 | 68 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | |||
DB05039 | 2023 | 68 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | |||
4183 | 2023 | 68 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | |||
6918554 | 2023 | 68 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | |||
7455 | 2023 | 68 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | |||
CHEMBL1095777 | 2023 | 68 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | |||
DB05039 | 2023 | 68 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | |||
9894801 | 120735 | 0 | None | -4 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 592 | 11 | 5 | 10 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)N(CC(=O)O)C4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | |||
CHEMBL354906 | 120735 | 0 | None | -4 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 592 | 11 | 5 | 10 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)N(CC(=O)O)C4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | |||
24936627 | 17684 | 0 | None | -41 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 444 | 8 | 4 | 9 | 2.2 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258485 | 17684 | 0 | None | -41 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 444 | 8 | 4 | 9 | 2.2 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
52949489 | 17545 | 0 | None | -30 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258024 | 17545 | 0 | None | -30 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
9827999 | 130902 | 0 | None | 7 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 519 | 9 | 5 | 10 | 0.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(Cn4oc(=O)[nH]c4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | |||
CHEMBL368584 | 130902 | 0 | None | 7 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 519 | 9 | 5 | 10 | 0.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(Cn4oc(=O)[nH]c4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | |||
130442480 | 175268 | 0 | None | -117 | 24 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4572614 | 175268 | 0 | None | -117 | 24 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
4407909 | 192864 | 1 | None | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
CHEMBL5182943 | 192864 | 1 | None | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
CHEMBL5221893 | 192864 | 1 | None | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
10112744 | 154653 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
CHEMBL399522 | 154653 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
128658 | 33973 | 7 | None | -11 | 5 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
CHEMBL142428 | 33973 | 7 | None | -11 | 5 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
2303 | 3185 | 68 | None | -46 | 26 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
4946 | 3185 | 68 | None | -46 | 26 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
564 | 3185 | 68 | None | -46 | 26 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
63 | 3185 | 68 | None | -46 | 26 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
91536 | 3185 | 68 | None | -46 | 26 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL27 | 3185 | 68 | None | -46 | 26 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
CHEMBL452861 | 3185 | 68 | None | -46 | 26 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
DB00571 | 3185 | 68 | None | -46 | 26 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
24936489 | 17516 | 0 | None | -12 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1257914 | 17516 | 0 | None | -12 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
71612644 | 133361 | 0 | None | 2 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | |||
CHEMBL3704833 | 133361 | 0 | None | 2 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | |||
52943383 | 17579 | 0 | None | -16 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.3 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
CHEMBL1258142 | 17579 | 0 | None | -16 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.3 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
1016 | 3745 | 78 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2561 | 3745 | 78 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2733526 | 3745 | 78 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
5384 | 3745 | 78 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL83 | 3745 | 78 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
DB00675 | 3745 | 78 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
11962616 | 221 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | |||
9326 | 221 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | |||
CHEMBL3039530 | 221 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | |||
DB12100 | 221 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | |||
2803 | 954 | 58 | None | -134 | 19 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
516 | 954 | 58 | None | -134 | 19 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
704 | 954 | 58 | None | -134 | 19 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
CHEMBL134 | 954 | 58 | None | -134 | 19 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
DB00575 | 954 | 58 | None | -134 | 19 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
3486 | 3155 | 56 | None | -1 | 11 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
4883 | 3155 | 56 | None | -1 | 11 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
555 | 3155 | 56 | None | -1 | 11 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
CHEMBL6995 | 3155 | 56 | None | -1 | 11 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
DB01297 | 3155 | 56 | None | -1 | 11 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
3083544 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1200811 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1363 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1951071 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL605993 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
DB00983 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
DB01274 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
3486 | 3155 | 56 | None | -6 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
4883 | 3155 | 56 | None | -6 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
555 | 3155 | 56 | None | -6 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
CHEMBL6995 | 3155 | 56 | None | -6 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
DB01297 | 3155 | 56 | None | -6 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
1054 | 1584 | 54 | None | 1 | 3 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
59768 | 1584 | 54 | None | 1 | 3 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
7178 | 1584 | 54 | None | 1 | 3 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
CHEMBL768 | 1584 | 54 | None | 1 | 3 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
DB00187 | 1584 | 54 | None | 1 | 3 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
2249 | 512 | 111 | None | 2 | 12 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
255 | 512 | 111 | None | 2 | 12 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
548 | 512 | 111 | None | 2 | 12 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
CHEMBL24 | 512 | 111 | None | 2 | 12 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
DB00335 | 512 | 111 | None | 2 | 12 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
175540 | 119253 | 49 | None | -1 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
CHEMBL343633 | 119253 | 49 | None | -1 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
155774 | 4094 | 40 | None | 6 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
2848 | 4094 | 40 | None | 6 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
538 | 4094 | 40 | None | 6 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
CHEMBL75753 | 4094 | 40 | None | 6 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
DB13781 | 4094 | 40 | None | 6 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
1786 | 2518 | 85 | None | -2 | 11 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
4171 | 2518 | 85 | None | -2 | 11 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
553 | 2518 | 85 | None | -2 | 11 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
CHEMBL13 | 2518 | 85 | None | -2 | 11 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
DB00264 | 2518 | 85 | None | -2 | 11 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
2369 | 621 | 80 | None | -4 | 8 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
356 | 621 | 80 | None | -4 | 8 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
549 | 621 | 80 | None | -4 | 8 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
CHEMBL423 | 621 | 80 | None | -4 | 8 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
DB00195 | 621 | 80 | None | -4 | 8 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
18047 | 203616 | 21 | None | 2 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | |||
CHEMBL67096 | 203616 | 21 | None | 2 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | |||
2369 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
356 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
549 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
CHEMBL423 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
DB00195 | 621 | 80 | None | -12 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
2303 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
4946 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
564 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
63 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
91536 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL27 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL452861 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
DB00571 | 3185 | 68 | None | -15 | 26 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
2369 | 621 | 80 | None | 3 | 8 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
356 | 621 | 80 | None | 3 | 8 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
549 | 621 | 80 | None | 3 | 8 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
CHEMBL423 | 621 | 80 | None | 3 | 8 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
DB00195 | 621 | 80 | None | 3 | 8 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
18047 | 203616 | 21 | None | -2 | 5 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | |||
CHEMBL67096 | 203616 | 21 | None | -2 | 5 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | |||
33624 | 3819 | 34 | None | -3 | 9 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
4061 | 3819 | 34 | None | -3 | 9 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
565 | 3819 | 34 | None | -3 | 9 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
CHEMBL499 | 3819 | 34 | None | -3 | 9 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
DB00373 | 3819 | 34 | None | -3 | 9 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
137 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
2119 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
563 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
66368 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
CHEMBL266195 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
DB00866 | 370 | 52 | None | -19 | 12 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
13191 | 183 | 0 | None | 1 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 301 | 5 | 3 | 4 | 2.5 | C(C)(C)(C)NC[C@@H](COC1=C2C=C(NC2=C(C=C1)C)C#N)O | 26385885 | |||
91885640 | 183 | 0 | None | 1 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 301 | 5 | 3 | 4 | 2.5 | C(C)(C)(C)NC[C@@H](COC1=C2C=C(NC2=C(C=C1)C)C#N)O | 26385885 | |||
132 | 1274 | 13 | None | 13 | 15 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 20590599 | |||
132 | 1274 | 13 | None | 13 | 15 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 26385885 | |||
155346 | 1274 | 13 | None | 13 | 15 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 20590599 | |||
155346 | 1274 | 13 | None | 13 | 15 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 26385885 | |||
CHEMBL378501 | 1274 | 13 | None | 13 | 15 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 20590599 | |||
CHEMBL378501 | 1274 | 13 | None | 13 | 15 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 26385885 | |||
12579 | 2750 | 0 | None | -1 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | Guide to Pharmacology | 470 | 14 | 4 | 7 | 3.7 | O[C@@H](CNCCOC1=CC=C(C=C1)C(O)=N)COC2=CC3=C(O[C@H](CCCC4CC4)CO3)C=C2 | 28400472 | |||
167993658 | 2750 | 0 | None | -1 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | Guide to Pharmacology | 470 | 14 | 4 | 7 | 3.7 | O[C@@H](CNCCOC1=CC=C(C=C1)C(O)=N)COC2=CC3=C(O[C@H](CCCC4CC4)CO3)C=C2 | 28400472 | |||
12580 | 2751 | 0 | None | -1 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 482 | 13 | 3 | 7 | 3.1 | O[C@@H](CNCCOC1=CC=C2C(=O)NCC2=C1)COC3=CC4=C(O[C@H](CCCC5CC5)CO4)C=C3 | 28400472 | |||
167993659 | 2751 | 0 | None | -1 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 482 | 13 | 3 | 7 | 3.1 | O[C@@H](CNCCOC1=CC=C2C(=O)NCC2=C1)COC3=CC4=C(O[C@H](CCCC5CC5)CO4)C=C3 | 28400472 | |||
487 | 792 | 71 | None | 1 | 7 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
487 | 792 | 71 | None | 1 | 7 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 26385885 | |||
569 | 792 | 71 | None | 1 | 7 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
569 | 792 | 71 | None | 1 | 7 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 26385885 | |||
71739 | 792 | 71 | None | 1 | 7 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
71739 | 792 | 71 | None | 1 | 7 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 26385885 | |||
CHEMBL324665 | 792 | 71 | None | 1 | 7 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
CHEMBL324665 | 792 | 71 | None | 1 | 7 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 26385885 | |||
165193 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 10.7 | pKi | = | 10.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
4946 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 10.7 | pKi | = | 10.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
62882 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 10.7 | pKi | = | 10.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
66366 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 10.7 | pKi | = | 10.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
CHEMBL27 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 10.7 | pKi | = | 10.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
DB00571 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 10.7 | pKi | = | 10.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
None | 216237 | 0 | 125I-Pindolol | -2 | 30 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | |||
None | 216481 | 0 | 125I-ICYP | 3 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
None | 216237 | 0 | 125I-Pindolol | -2 | 30 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | |||
2176 | 3125 | 68 | UNDEFINED | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
4828 | 3125 | 68 | UNDEFINED | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
91 | 3125 | 68 | UNDEFINED | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
CHEMBL500 | 3125 | 68 | UNDEFINED | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
DB00960 | 3125 | 68 | UNDEFINED | -4 | 27 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
2176 | 3125 | 68 | 125I-ICYP | -2 | 27 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
4828 | 3125 | 68 | 125I-ICYP | -2 | 27 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
91 | 3125 | 68 | 125I-ICYP | -2 | 27 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
CHEMBL500 | 3125 | 68 | 125I-ICYP | -2 | 27 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
DB00960 | 3125 | 68 | 125I-ICYP | -2 | 27 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
2303 | 3185 | 68 | 125I-ICYP | -46 | 26 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
4946 | 3185 | 68 | 125I-ICYP | -46 | 26 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
564 | 3185 | 68 | 125I-ICYP | -46 | 26 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
63 | 3185 | 68 | 125I-ICYP | -46 | 26 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
91536 | 3185 | 68 | 125I-ICYP | -46 | 26 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL27 | 3185 | 68 | 125I-ICYP | -46 | 26 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL452861 | 3185 | 68 | 125I-ICYP | -46 | 26 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
DB00571 | 3185 | 68 | 125I-ICYP | -46 | 26 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
137 | 370 | 52 | 3H-DHA | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
2119 | 370 | 52 | 3H-DHA | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
563 | 370 | 52 | 3H-DHA | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
66368 | 370 | 52 | 3H-DHA | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
CHEMBL266195 | 370 | 52 | 3H-DHA | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
DB00866 | 370 | 52 | 3H-DHA | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
2585 | 802 | 103 | 125I-CYP | -1 | 22 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
522 | 802 | 103 | 125I-CYP | -1 | 22 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
551 | 802 | 103 | 125I-CYP | -1 | 22 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
CHEMBL723 | 802 | 103 | 125I-CYP | -1 | 22 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
DB01136 | 802 | 103 | 125I-CYP | -1 | 22 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
123686 | 1979 | 51 | 125I-Pindolol | -1 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | None | |||
12581 | 1979 | 51 | 125I-Pindolol | -1 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | None | |||
CHEMBL11268 | 1979 | 51 | 125I-Pindolol | -1 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | None | |||
2303 | 3185 | 68 | 125I-CYP | -9 | 26 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
4946 | 3185 | 68 | 125I-CYP | -9 | 26 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
564 | 3185 | 68 | 125I-CYP | -9 | 26 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
63 | 3185 | 68 | 125I-CYP | -9 | 26 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
91536 | 3185 | 68 | 125I-CYP | -9 | 26 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL27 | 3185 | 68 | 125I-CYP | -9 | 26 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL452861 | 3185 | 68 | 125I-CYP | -9 | 26 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
DB00571 | 3185 | 68 | 125I-CYP | -9 | 26 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
2176 | 3125 | 68 | 125I-ICYP | -4 | 27 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
4828 | 3125 | 68 | 125I-ICYP | -4 | 27 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
91 | 3125 | 68 | 125I-ICYP | -4 | 27 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
CHEMBL500 | 3125 | 68 | 125I-ICYP | -4 | 27 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
DB00960 | 3125 | 68 | 125I-ICYP | -4 | 27 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
487 | 792 | 71 | None | -8 | 7 | Mouse | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
569 | 792 | 71 | None | -8 | 7 | Mouse | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
71739 | 792 | 71 | None | -8 | 7 | Mouse | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
CHEMBL324665 | 792 | 71 | None | -8 | 7 | Mouse | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
202 | 1507 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
60835 | 1507 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
972 | 1507 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
CHEMBL1175 | 1507 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
DB00476 | 1507 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
121881 | 3488 | 27 | 125I-CYP | -48977 | 15 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | None | |||
256 | 3488 | 27 | 125I-CYP | -48977 | 15 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | None | |||
CHEMBL68131 | 3488 | 27 | 125I-CYP | -48977 | 15 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | None | |||
46222048 | 8982 | 0 | UNDEFINED | -4365 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | None | |||
CHEMBL1098230 | 8982 | 0 | UNDEFINED | -4365 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | None | |||
5656 | 203064 | 87 | UNDEFINED | -7 | 43 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | |||
CHEMBL637 | 203064 | 87 | UNDEFINED | -7 | 43 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | |||
54841 | 203125 | 52 | UNDEFINED | -1 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | |||
CHEMBL641 | 203125 | 52 | UNDEFINED | -1 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | |||
3075702 | 217330 | 0 | 3H-CPG-12177 (-) | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | |||
179 | 400 | 115 | 125I-Iodopindolol | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
2159 | 400 | 115 | 125I-Iodopindolol | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
963 | 400 | 115 | 125I-Iodopindolol | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
CHEMBL243712 | 400 | 115 | 125I-Iodopindolol | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
DB06288 | 400 | 115 | 125I-Iodopindolol | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
2726 | 918 | 68 | 125I-Pindolol | -5888 | 73 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
621 | 918 | 68 | 125I-Pindolol | -5888 | 73 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
83 | 918 | 68 | 125I-Pindolol | -5888 | 73 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
CHEMBL71 | 918 | 68 | 125I-Pindolol | -5888 | 73 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
DB00477 | 918 | 68 | 125I-Pindolol | -5888 | 73 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
135398737 | 957 | 93 | 125I-Pindolol | -269 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 957 | 93 | 125I-Pindolol | -269 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 957 | 93 | 125I-Pindolol | -269 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 957 | 93 | 125I-Pindolol | -269 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 957 | 93 | 125I-Pindolol | -269 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
1155 | 1627 | 53 | 125I-CYP | -42 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
3343 | 1627 | 53 | 125I-CYP | -42 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
557 | 1627 | 53 | 125I-CYP | -42 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
CHEMBL32800 | 1627 | 53 | 125I-CYP | -42 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
DB01288 | 1627 | 53 | 125I-CYP | -42 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
1212 | 1660 | 50 | 125I-Pindolol | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
204 | 1660 | 50 | 125I-Pindolol | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
3372 | 1660 | 50 | 125I-Pindolol | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
CHEMBL726 | 1660 | 50 | 125I-Pindolol | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
DB00623 | 1660 | 50 | 125I-Pindolol | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
1353 | 1909 | 93 | 125I-Pindolol | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
3559 | 1909 | 93 | 125I-Pindolol | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
86 | 1909 | 93 | 125I-Pindolol | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
CHEMBL54 | 1909 | 93 | 125I-Pindolol | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
DB00502 | 1909 | 93 | 125I-Pindolol | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
3294 | 2004 | 111 | 3H-CGP-12177 | -14454 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
71360 | 2004 | 111 | 3H-CGP-12177 | -14454 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
87 | 2004 | 111 | 3H-CGP-12177 | -14454 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
CHEMBL14376 | 2004 | 111 | 3H-CGP-12177 | -14454 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
DB04946 | 2004 | 111 | 3H-CGP-12177 | -14454 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
1613 | 2346 | 53 | 125I-Pindolol | -2754 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
205 | 2346 | 53 | 125I-Pindolol | -2754 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
3964 | 2346 | 53 | 125I-Pindolol | -2754 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
CHEMBL831 | 2346 | 53 | 125I-Pindolol | -2754 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
DB00408 | 2346 | 53 | 125I-Pindolol | -2754 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
134 | 2512 | 24 | 125I-Pindolol | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
1775 | 2512 | 24 | 125I-Pindolol | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
9681 | 2512 | 24 | 125I-Pindolol | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
CHEMBL1065 | 2512 | 24 | 125I-Pindolol | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
DB00247 | 2512 | 24 | 125I-Pindolol | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
15897 | 2860 | 0 | 125I-Pindolol | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
215 | 2860 | 0 | 125I-Pindolol | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
CHEMBL1979333 | 2860 | 0 | 125I-Pindolol | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
135398745 | 2912 | 112 | 125I-Pindolol | -331 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
47 | 2912 | 112 | 125I-Pindolol | -331 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
CHEMBL715 | 2912 | 112 | 125I-Pindolol | -331 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
DB00334 | 2912 | 112 | 125I-Pindolol | -331 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
2105 | 3052 | 37 | 3H-CGP-12177 | -16218 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
47811 | 3052 | 37 | 3H-CGP-12177 | -16218 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
48 | 3052 | 37 | 3H-CGP-12177 | -16218 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
CHEMBL531 | 3052 | 37 | 3H-CGP-12177 | -16218 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
DB01186 | 3052 | 37 | 3H-CGP-12177 | -16218 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
2202 | 3130 | 96 | 3H-CGP-12177 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
4850 | 3130 | 96 | 3H-CGP-12177 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
49 | 3130 | 96 | 3H-CGP-12177 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
CHEMBL1371770 | 3130 | 96 | 3H-CGP-12177 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
DB12478 | 3130 | 96 | 3H-CGP-12177 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
119570 | 3157 | 96 | 125I-Pindolol | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
119570 | 3157 | 96 | 3H-CGP-12177 | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
2233 | 3157 | 96 | 125I-Pindolol | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
2233 | 3157 | 96 | 3H-CGP-12177 | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
953 | 3157 | 96 | 125I-Pindolol | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
953 | 3157 | 96 | 3H-CGP-12177 | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
CHEMBL301265 | 3157 | 96 | 125I-Pindolol | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
CHEMBL301265 | 3157 | 96 | 3H-CGP-12177 | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
DB00413 | 3157 | 96 | 125I-Pindolol | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
DB00413 | 3157 | 96 | 3H-CGP-12177 | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
243 | 3200 | 91 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
3052762 | 3200 | 91 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
3502 | 3200 | 91 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
CHEMBL117287 | 3200 | 91 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
DB06480 | 3200 | 91 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
2337 | 3254 | 77 | 125I-Pindolol | -72 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
50 | 3254 | 77 | 125I-Pindolol | -72 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
5002 | 3254 | 77 | 125I-Pindolol | -72 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
CHEMBL716 | 3254 | 77 | 125I-Pindolol | -72 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
DB01224 | 3254 | 77 | 125I-Pindolol | -72 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
2 | 3259 | 23 | 3H-CGP-12177 | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
54562 | 3259 | 23 | 3H-CGP-12177 | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
CHEMBL240773 | 3259 | 23 | 3H-CGP-12177 | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
2389 | 3329 | 118 | 125I-Pindolol | -1737 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
5073 | 3329 | 118 | 125I-Pindolol | -1737 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
96 | 3329 | 118 | 125I-Pindolol | -1737 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
CHEMBL85 | 3329 | 118 | 125I-Pindolol | -1737 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
DB00734 | 3329 | 118 | 125I-Pindolol | -1737 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
2402 | 3368 | 62 | 3H-CGP-12177 | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
5095 | 3368 | 62 | 3H-CGP-12177 | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
7295 | 3368 | 62 | 3H-CGP-12177 | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
CHEMBL589 | 3368 | 62 | 3H-CGP-12177 | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
DB00268 | 3368 | 62 | 3H-CGP-12177 | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
183782 | 3396 | 20 | 3H-CGP-12177 | -2398 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | |||
237 | 3396 | 20 | 3H-CGP-12177 | -2398 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | |||
CHEMBL85251 | 3396 | 20 | 3H-CGP-12177 | -2398 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | |||
128563 | 3462 | 33 | 125I-Pindolol | -2398 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
1666 | 3462 | 33 | 125I-Pindolol | -2398 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
CHEMBL445332 | 3462 | 33 | 125I-Pindolol | -2398 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
DB12327 | 3462 | 33 | 125I-Pindolol | -2398 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
6917970 | 3689 | 61 | 125I-Pindolol | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
8370 | 3689 | 61 | 125I-Pindolol | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
CHEMBL487387 | 3689 | 61 | 125I-Pindolol | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
2598 | 3776 | 58 | 125I-ICYP | -67 | 5 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
2598 | 3776 | 58 | 125I-CYP | -239 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
5403 | 3776 | 58 | 125I-ICYP | -67 | 5 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
5403 | 3776 | 58 | 125I-CYP | -239 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
560 | 3776 | 58 | 125I-ICYP | -67 | 5 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
560 | 3776 | 58 | 125I-CYP | -239 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
CHEMBL1760 | 3776 | 58 | 125I-ICYP | -67 | 5 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
CHEMBL1760 | 3776 | 58 | 125I-CYP | -239 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
DB00871 | 3776 | 58 | 125I-ICYP | -67 | 5 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
DB00871 | 3776 | 58 | 125I-CYP | -239 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
100 | 3803 | 58 | 125I-Pindolol | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
2637 | 3803 | 58 | 125I-Pindolol | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
5452 | 3803 | 58 | 125I-Pindolol | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
CHEMBL479 | 3803 | 58 | 125I-Pindolol | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
DB00679 | 3803 | 58 | 125I-Pindolol | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
213 | 3851 | 55 | 125I-Pindolol | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
2717 | 3851 | 55 | 125I-Pindolol | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
5533 | 3851 | 55 | 125I-Pindolol | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
CHEMBL621 | 3851 | 55 | 125I-Pindolol | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
DB00656 | 3851 | 55 | 125I-Pindolol | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
185 | 4004 | 60 | 125I-Pindolol | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
5311271 | 4004 | 60 | 125I-Pindolol | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
CHEMBL74355 | 4004 | 60 | 125I-Pindolol | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
DB16351 | 4004 | 60 | 125I-Pindolol | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
2865 | 4141 | 73 | 125I-Pindolol | -1071 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
59 | 4141 | 73 | 125I-Pindolol | -1071 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
60854 | 4141 | 73 | 125I-Pindolol | -1071 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
CHEMBL708 | 4141 | 73 | 125I-Pindolol | -1071 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
DB00246 | 4141 | 73 | 125I-Pindolol | -1071 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
103 | 4151 | 61 | 125I-Pindolol | -501 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
2875 | 4151 | 61 | 125I-Pindolol | -501 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
5736 | 4151 | 61 | 125I-Pindolol | -501 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
CHEMBL285802 | 4151 | 61 | 125I-Pindolol | -501 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
DB09225 | 4151 | 61 | 125I-Pindolol | -501 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
10297 | 27110 | 30 | 125I-Pindolol | -38 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
CHEMBL136560 | 27110 | 30 | 125I-Pindolol | -38 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
115237 | 55583 | 119 | 125I-Pindolol | -2754 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
CHEMBL1621 | 55583 | 119 | 125I-Pindolol | -2754 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
DB01267 | 55583 | 119 | 125I-Pindolol | -2754 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
104870 | 98878 | 47 | 3H-CGP-12177 | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
5374 | 98878 | 47 | 3H-CGP-12177 | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
CHEMBL279085 | 98878 | 47 | 3H-CGP-12177 | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
446220 | 133519 | 14 | 125I-Pindolol | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | |||
CHEMBL370805 | 133519 | 14 | 125I-Pindolol | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | |||
44208932 | 140705 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | |||
CHEMBL381689 | 140705 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | |||
1615 | 167789 | 24 | 125I-Pindolol | -26 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
1615 | 167789 | 24 | 125I-Pindolol | -26 | 45 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
CHEMBL43048 | 167789 | 24 | 125I-Pindolol | -26 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
CHEMBL43048 | 167789 | 24 | 125I-Pindolol | -26 | 45 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
5280343 | 188273 | 124 | 125I-Pindolol | -147 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
CHEMBL1520590 | 188273 | 124 | 125I-Pindolol | -147 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
CHEMBL50 | 188273 | 124 | 125I-Pindolol | -147 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
162265 | 202272 | 22 | 125I-Pindolol | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
4786 | 202272 | 22 | 125I-Pindolol | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
CHEMBL61006 | 202272 | 22 | 125I-Pindolol | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
5281600 | 203023 | 92 | 125I-Pindolol | -275 | 33 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | |||
CHEMBL63354 | 203023 | 92 | 125I-Pindolol | -275 | 33 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | |||
1973 | 203481 | 15 | 3H-CGP-12177 | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
CHEMBL1394464 | 203481 | 15 | 3H-CGP-12177 | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
CHEMBL66089 | 203481 | 15 | 3H-CGP-12177 | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
4054 | 205499 | 72 | 3H-PL17 | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
CHEMBL1699 | 205499 | 72 | 3H-PL17 | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
CHEMBL807 | 205499 | 72 | 3H-PL17 | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
3337 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
65801 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
66264 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
91452 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
CHEMBL87493 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
DB00574 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
11954224 | 215951 | 0 | 125I-Pindolol | -3388 | 60 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
3251 | 215951 | 0 | 125I-Pindolol | -3388 | 60 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
CHEMBL1982133 | 215951 | 0 | 125I-Pindolol | -3388 | 60 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
DB00696 | 215951 | 0 | 125I-Pindolol | -3388 | 60 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
25058166 | 215958 | 0 | 3H-CGP-12177 | -5011 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | |||
6852389 | 215958 | 0 | 3H-CGP-12177 | -5011 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | |||
11954259 | 215977 | 0 | 125I-Pindolol | -33113 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | |||
104911 | 216017 | 0 | 125I-Pindolol | -41686 | 38 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | |||
None | 216025 | 0 | 3H-CGP-12177 | -6309 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 453 | 9 | 2 | 6 | 2.6 | COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N.Cl | None | |||
None | 216167 | 0 | 125I-ICYP | -2 | 4 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 5 | 3 | 5 | -1.5 | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CC[NH2+]2)O)O.[Cl-] | None | |||
25137849 | 216177 | 0 | 125I-Pindolol | -4 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
71290 | 216177 | 0 | 125I-Pindolol | -4 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
None | 216309 | 0 | 125I-Pindolol | -1 | 34 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | |||
None | 216310 | 0 | 125I-Pindolol | -1 | 34 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | |||
None | 216311 | 0 | 125I-Pindolol | -1 | 34 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | |||
None | 216312 | 0 | 125I-Pindolol | -1 | 34 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | |||
None | 216313 | 0 | 125I-Pindolol | -1 | 29 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | |||
None | 216314 | 0 | 125I-Pindolol | -1 | 40 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | |||
None | 216315 | 0 | 125I-Pindolol | -1 | 39 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | |||
None | 216323 | 0 | 125I-Pindolol | -13 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | |||
1576 | 216324 | 0 | 125I-Pindolol | -16 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | |||
None | 216325 | 0 | 125I-Pindolol | -16 | 28 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | |||
4978 | 216326 | 0 | 125I-Pindolol | -16 | 28 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | |||
None | 216327 | 0 | 125I-Pindolol | -3 | 28 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | |||
None | 216328 | 0 | 125I-Pindolol | -281 | 28 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | |||
None | 216329 | 0 | 125I-Pindolol | -1 | 28 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | |||
None | 216339 | 0 | 3H-CGP-12177 | -13182 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | |||
None | 216340 | 0 | 3H-CGP-12177 | -1862 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCCC2C1CC3=CN=C(N=C3C2)N | None | |||
None | 216395 | 0 | 125I-CYP | -23 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 363 | 9 | 3 | 4 | 3.1 | CC(CC1=CC=C(C=C1)OCC(=O)O)NCC(C2=CC(=CC=C2)Cl)O | None | |||
None | 216448 | 0 | UNDEFINED | -660 | 28 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | |||
None | 216448 | 0 | Functional | -660 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | |||
None | 216487 | 0 | 125I-Pindolol | -4570 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | |||
3337 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
65801 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
66264 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
91452 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
CHEMBL87493 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
DB00574 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
5581 | 101656 | 11 | 125I-ICYP | -20 | 4 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
CHEMBL299175 | 101656 | 11 | 125I-ICYP | -20 | 4 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
1531 | 2264 | 69 | 125I-ICYP | -1 | 16 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
3869 | 2264 | 69 | 125I-ICYP | -1 | 16 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
7207 | 2264 | 69 | 125I-ICYP | -1 | 16 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
CHEMBL429 | 2264 | 69 | 125I-ICYP | -1 | 16 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
DB00598 | 2264 | 69 | 125I-ICYP | -1 | 16 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
2369 | 621 | 80 | 125I-ICYP | -4 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
356 | 621 | 80 | 125I-ICYP | -4 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
549 | 621 | 80 | 125I-ICYP | -4 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
CHEMBL423 | 621 | 80 | 125I-ICYP | -4 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
DB00195 | 621 | 80 | 125I-ICYP | -4 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
1978 | 250 | 60 | 125I-ICYP | -19 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
40 | 250 | 60 | 125I-ICYP | -19 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
7107 | 250 | 60 | 125I-ICYP | -19 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
CHEMBL642 | 250 | 60 | 125I-ICYP | -19 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
DB01193 | 250 | 60 | 125I-ICYP | -19 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
71149 | 216396 | 0 | 125I-CYP | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 262 | 3 | 2 | 4 | 1.9 | CC(C)(C)NCC(C1=CC(=NO1)Br)O | None | |||
3682 | 189435 | 12 | 125I-ICYP | -229 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
CHEMBL1256784 | 189435 | 12 | 125I-ICYP | -229 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
CHEMBL513389 | 189435 | 12 | 125I-ICYP | -229 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
1621 | 2427 | 17 | 125I-Pindolol | -457 | 45 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
17 | 2427 | 17 | 125I-Pindolol | -457 | 45 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
5761 | 2427 | 17 | 125I-Pindolol | -457 | 45 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
CHEMBL263881 | 2427 | 17 | 125I-Pindolol | -457 | 45 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
DB04829 | 2427 | 17 | 125I-Pindolol | -457 | 45 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
242 | 470 | 124 | 125I-Pindolol | -22 | 52 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
242 | 470 | 124 | 3H-Pindolol | -22 | 52 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
34 | 470 | 124 | 125I-Pindolol | -22 | 52 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
34 | 470 | 124 | 3H-Pindolol | -22 | 52 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
60795 | 470 | 124 | 125I-Pindolol | -22 | 52 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
60795 | 470 | 124 | 3H-Pindolol | -22 | 52 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
CHEMBL1112 | 470 | 124 | 125I-Pindolol | -22 | 52 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
CHEMBL1112 | 470 | 124 | 3H-Pindolol | -22 | 52 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
DB01238 | 470 | 124 | 125I-Pindolol | -22 | 52 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
DB01238 | 470 | 124 | 3H-Pindolol | -22 | 52 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
3682 | 189435 | 12 | 125I-Pindolol | -1047 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
CHEMBL1256784 | 189435 | 12 | 125I-Pindolol | -1047 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
CHEMBL513389 | 189435 | 12 | 125I-Pindolol | -1047 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
2419 | 3461 | 84 | 125I-CYP | -154 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
5152 | 3461 | 84 | 125I-CYP | -154 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
559 | 3461 | 84 | 125I-CYP | -154 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
CHEMBL1263 | 3461 | 84 | 125I-CYP | -154 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
DB00938 | 3461 | 84 | 125I-CYP | -154 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
3083544 | 26807 | 51 | 125I-CYP | -5 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1200811 | 26807 | 51 | 125I-CYP | -5 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1363 | 26807 | 51 | 125I-CYP | -5 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1951071 | 26807 | 51 | 125I-CYP | -5 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL605993 | 26807 | 51 | 125I-CYP | -5 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
DB00983 | 26807 | 51 | 125I-CYP | -5 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
DB01274 | 26807 | 51 | 125I-CYP | -5 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
3682 | 189435 | 12 | 125I-ICYP | -1047 | 8 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
CHEMBL1256784 | 189435 | 12 | 125I-ICYP | -1047 | 8 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
CHEMBL513389 | 189435 | 12 | 125I-ICYP | -1047 | 8 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
3682 | 189435 | 12 | 125I-ICYP | -1047 | 8 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
CHEMBL1256784 | 189435 | 12 | 125I-ICYP | -1047 | 8 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
CHEMBL513389 | 189435 | 12 | 125I-ICYP | -1047 | 8 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
124433 | 151429 | 15 | UNDEFINED | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 288 | 6 | 3 | 3 | 2.8 | OC(CNC1CCCCC1)COc1cccc2[nH]ccc12 | None | |||
CHEMBL396185 | 151429 | 15 | UNDEFINED | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 288 | 6 | 3 | 3 | 2.8 | OC(CNC1CCCCC1)COc1cccc2[nH]ccc12 | None | |||
2176 | 3125 | 68 | 125I-CYP | -4 | 27 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
4828 | 3125 | 68 | 125I-CYP | -4 | 27 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
91 | 3125 | 68 | 125I-CYP | -4 | 27 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
CHEMBL500 | 3125 | 68 | 125I-CYP | -4 | 27 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
DB00960 | 3125 | 68 | 125I-CYP | -4 | 27 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
165193 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
4946 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
62882 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
66366 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
CHEMBL27 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
DB00571 | 215943 | 0 | 125I-ICYP | 3 | 30 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
165193 | 215943 | 0 | 125I-ICYP | -12 | 30 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
4946 | 215943 | 0 | 125I-ICYP | -12 | 30 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
62882 | 215943 | 0 | 125I-ICYP | -12 | 30 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
66366 | 215943 | 0 | 125I-ICYP | -12 | 30 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
CHEMBL27 | 215943 | 0 | 125I-ICYP | -12 | 30 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
DB00571 | 215943 | 0 | 125I-ICYP | -12 | 30 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
2405 | 664 | 76 | 125I-CYP | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
380 | 664 | 76 | 125I-CYP | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
7129 | 664 | 76 | 125I-CYP | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
CHEMBL645 | 664 | 76 | 125I-CYP | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
DB00612 | 664 | 76 | 125I-CYP | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
2464 | 3638 | 58 | 125I-ICYP | -37 | 6 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
5253 | 3638 | 58 | 125I-ICYP | -37 | 6 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
7297 | 3638 | 58 | 125I-ICYP | -37 | 6 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
CHEMBL471 | 3638 | 58 | 125I-ICYP | -37 | 6 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
DB00489 | 3638 | 58 | 125I-ICYP | -37 | 6 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
1499 | 2089 | 47 | 125I-CYP | -53 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
3779 | 2089 | 47 | 125I-CYP | -53 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
536 | 2089 | 47 | 125I-CYP | -53 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
CHEMBL434 | 2089 | 47 | 125I-CYP | -53 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
DB01064 | 2089 | 47 | 125I-CYP | -53 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
7153 | 98018 | 77 | 125I-Pindolol | -123 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | |||
CHEMBL272942 | 98018 | 77 | 125I-Pindolol | -123 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | |||
None | 216168 | 0 | 125I-ICYP | -8 | 2 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C(=C3CCN2)F)O)O | None | |||
105 | 3459 | 91 | 125I-CYP | 1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
2083 | 3459 | 91 | 125I-CYP | 1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
558 | 3459 | 91 | 125I-CYP | 1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
CHEMBL714 | 3459 | 91 | 125I-CYP | 1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
DB01001 | 3459 | 91 | 125I-CYP | 1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
3486 | 3155 | 56 | 125I-ICYP | -1 | 11 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
4883 | 3155 | 56 | 125I-ICYP | -1 | 11 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
555 | 3155 | 56 | 125I-ICYP | -1 | 11 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
CHEMBL6995 | 3155 | 56 | 125I-ICYP | -1 | 11 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
DB01297 | 3155 | 56 | 125I-ICYP | -1 | 11 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
2865 | 4141 | 73 | 125I-ICYP | -1071 | 54 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
59 | 4141 | 73 | 125I-ICYP | -1071 | 54 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
60854 | 4141 | 73 | 125I-ICYP | -1071 | 54 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
CHEMBL708 | 4141 | 73 | 125I-ICYP | -1071 | 54 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
DB00246 | 4141 | 73 | 125I-ICYP | -1071 | 54 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
219050 | 3371 | 25 | 3H-CGP-12177 | -16595 | 21 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
52 | 3371 | 25 | 3H-CGP-12177 | -16595 | 21 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
CHEMBL431367 | 3371 | 25 | 3H-CGP-12177 | -16595 | 21 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
None | 216167 | 0 | 125I-ICYP | 2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 381 | 5 | 3 | 5 | -1.5 | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CC[NH2+]2)O)O.[Cl-] | None | |||
484 | 2856 | 51 | 125I-CYP | -19 | 35 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
951 | 2856 | 51 | 125I-CYP | -19 | 35 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
CHEMBL432 | 2856 | 51 | 125I-CYP | -19 | 35 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
128658 | 33973 | 7 | 125I-ICYP | -4 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | None | |||
CHEMBL142428 | 33973 | 7 | 125I-ICYP | -4 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | None | |||
688390 | 216483 | 0 | 125I-ICYP | -7 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 267 | 5 | 2 | 4 | 2.5 | C[C@H]([C@H](C1=C(C=CC(=C1)OC)OC)O)NC(C)(C)C | None | |||
688390 | 216483 | 0 | 125I-ICYP | -7 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 267 | 5 | 2 | 4 | 2.5 | C[C@H]([C@H](C1=C(C=CC(=C1)OC)OC)O)NC(C)(C)C | None | |||
2249 | 512 | 111 | 125I-CYP | -5 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
255 | 512 | 111 | 125I-CYP | -5 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
548 | 512 | 111 | 125I-CYP | -5 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
CHEMBL24 | 512 | 111 | 125I-CYP | -5 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
DB00335 | 512 | 111 | 125I-CYP | -5 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
1028 | 291 | 71 | 125I-CYP | -70 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
139148732 | 291 | 71 | 125I-CYP | -70 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
479 | 291 | 71 | 125I-CYP | -70 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
5816 | 291 | 71 | 125I-CYP | -70 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
CHEMBL679 | 291 | 71 | 125I-CYP | -70 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
DB00668 | 291 | 71 | 125I-CYP | -70 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
137 | 370 | 52 | 125I-ICYP | -3 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
2119 | 370 | 52 | 125I-ICYP | -3 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
563 | 370 | 52 | 125I-ICYP | -3 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
66368 | 370 | 52 | 125I-ICYP | -3 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
CHEMBL266195 | 370 | 52 | 125I-ICYP | -3 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
DB00866 | 370 | 52 | 125I-ICYP | -3 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
123707 | 216482 | 0 | 125I-ICYP | 3 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 416 | 9 | 3 | 6 | 1.8 | CC1=C(C=C(C=C1)C(CNCCOC2=CC=CC=C2OC)O)S(=O)(=O)N.Cl | None | |||
2687 | 888 | 16 | 125I-CYP | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | |||
532 | 888 | 16 | 125I-CYP | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | |||
5387 | 888 | 16 | 125I-CYP | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | |||
CHEMBL420746 | 888 | 16 | 125I-CYP | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | |||
135398737 | 957 | 93 | None | -144 | 91 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 957 | 93 | None | -144 | 91 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 957 | 93 | None | -144 | 91 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 957 | 93 | None | -144 | 91 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 957 | 93 | None | -144 | 91 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
2389 | 3329 | 118 | None | -851 | 67 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
5073 | 3329 | 118 | None | -851 | 67 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
96 | 3329 | 118 | None | -851 | 67 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
CHEMBL85 | 3329 | 118 | None | -851 | 67 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
DB00734 | 3329 | 118 | None | -851 | 67 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
2685 | 889 | 21 | 125I-CYP | -1 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | None | |||
541 | 889 | 21 | 125I-CYP | -1 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | None | |||
CHEMBL280822 | 889 | 21 | 125I-CYP | -1 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | None | |||
448537 | 160248 | 89 | None | -50 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
CHEMBL411 | 160248 | 89 | None | -50 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
2146 | 3098 | 67 | None | -3 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
485 | 3098 | 67 | None | -3 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
6041 | 3098 | 67 | None | -3 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
CHEMBL1215 | 3098 | 67 | None | -3 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
DB00388 | 3098 | 67 | None | -3 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
103 | 4151 | 61 | 125I-ICYP | -501 | 54 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
2875 | 4151 | 61 | 125I-ICYP | -501 | 54 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
5736 | 4151 | 61 | 125I-ICYP | -501 | 54 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
CHEMBL285802 | 4151 | 61 | 125I-ICYP | -501 | 54 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
DB09225 | 4151 | 61 | 125I-ICYP | -501 | 54 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
1155 | 1627 | 53 | 125I-ICYP | -17 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
3343 | 1627 | 53 | 125I-ICYP | -17 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
557 | 1627 | 53 | 125I-ICYP | -17 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
CHEMBL32800 | 1627 | 53 | 125I-ICYP | -17 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
DB01288 | 1627 | 53 | 125I-ICYP | -17 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
3663 | 99965 | 83 | 125I-Pindolol | -125 | 29 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | |||
CHEMBL286494 | 99965 | 83 | 125I-Pindolol | -125 | 29 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | |||
1499 | 2089 | 47 | 125I-ICYP | -67 | 17 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
3779 | 2089 | 47 | 125I-ICYP | -67 | 17 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
536 | 2089 | 47 | 125I-ICYP | -67 | 17 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
CHEMBL434 | 2089 | 47 | 125I-ICYP | -67 | 17 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
DB01064 | 2089 | 47 | 125I-ICYP | -67 | 17 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
1786 | 2518 | 85 | 125I-CYP | -1 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
4171 | 2518 | 85 | 125I-CYP | -1 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
553 | 2518 | 85 | 125I-CYP | -1 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
CHEMBL13 | 2518 | 85 | 125I-CYP | -1 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
DB00264 | 2518 | 85 | 125I-CYP | -1 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
3682 | 189435 | 12 | 125I-CYP | -229 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
CHEMBL1256784 | 189435 | 12 | 125I-CYP | -229 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
CHEMBL513389 | 189435 | 12 | 125I-CYP | -229 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
681 | 1464 | 72 | None | -44 | 39 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
940 | 1464 | 72 | None | -44 | 39 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
947 | 1464 | 72 | None | -44 | 39 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
CHEMBL59 | 1464 | 72 | None | -44 | 39 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
DB00988 | 1464 | 72 | None | -44 | 39 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
2247 | 505 | 81 | None | -128 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
249 | 505 | 81 | None | -128 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
2603 | 505 | 81 | None | -128 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
CHEMBL296419 | 505 | 81 | None | -128 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
DB00637 | 505 | 81 | None | -128 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
1016 | 3745 | 78 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
2561 | 3745 | 78 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
2733526 | 3745 | 78 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
5384 | 3745 | 78 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
CHEMBL83 | 3745 | 78 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
DB00675 | 3745 | 78 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
681 | 1464 | 72 | None | 1 | 39 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
940 | 1464 | 72 | None | 1 | 39 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
947 | 1464 | 72 | None | 1 | 39 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
CHEMBL59 | 1464 | 72 | None | 1 | 39 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
DB00988 | 1464 | 72 | None | 1 | 39 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
43815 | 186918 | 64 | None | 1 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
CHEMBL1708 | 186918 | 64 | None | 1 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
CHEMBL490 | 186918 | 64 | None | 1 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
3198 | 205511 | 76 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
CHEMBL1201049 | 205511 | 76 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
CHEMBL808 | 205511 | 76 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
4189 | 206920 | 96 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
CHEMBL1559 | 206920 | 96 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
CHEMBL91 | 206920 | 96 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
2812 | 4777 | 101 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
CHEMBL104 | 4777 | 101 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
165193 | 215943 | 0 | 125I-ICYP | -22 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
4946 | 215943 | 0 | 125I-ICYP | -22 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
62882 | 215943 | 0 | 125I-ICYP | -22 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
66366 | 215943 | 0 | 125I-ICYP | -22 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
CHEMBL27 | 215943 | 0 | 125I-ICYP | -22 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
DB00571 | 215943 | 0 | 125I-ICYP | -22 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
1209 | 1656 | 75 | None | 1 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
203 | 1656 | 75 | None | 1 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
3386 | 1656 | 75 | None | 1 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
CHEMBL41 | 1656 | 75 | None | 1 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
DB00472 | 1656 | 75 | None | 1 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
5581 | 101656 | 11 | 125I-ICYP | 3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
CHEMBL299175 | 101656 | 11 | 125I-ICYP | 3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
103 | 4151 | 61 | None | -501 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
2875 | 4151 | 61 | None | -501 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
5736 | 4151 | 61 | None | -501 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
CHEMBL285802 | 4151 | 61 | None | -501 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
DB09225 | 4151 | 61 | None | -501 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
105 | 3459 | 91 | 125I-ICYP | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
2083 | 3459 | 91 | 125I-ICYP | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
558 | 3459 | 91 | 125I-ICYP | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
CHEMBL714 | 3459 | 91 | 125I-ICYP | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
DB01001 | 3459 | 91 | 125I-ICYP | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
1028 | 291 | 71 | None | -23 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
139148732 | 291 | 71 | None | -23 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
479 | 291 | 71 | None | -23 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
5816 | 291 | 71 | None | -23 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
CHEMBL679 | 291 | 71 | None | -23 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
DB00668 | 291 | 71 | None | -23 | 30 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
2865 | 4141 | 73 | None | -1071 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
59 | 4141 | 73 | None | -1071 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
60854 | 4141 | 73 | None | -1071 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
CHEMBL708 | 4141 | 73 | None | -1071 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
DB00246 | 4141 | 73 | None | -1071 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
105 | 3459 | 91 | None | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
2083 | 3459 | 91 | None | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
558 | 3459 | 91 | None | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
CHEMBL714 | 3459 | 91 | None | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
DB01001 | 3459 | 91 | None | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
11954224 | 215951 | 0 | None | -3388 | 60 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
3251 | 215951 | 0 | None | -3388 | 60 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
CHEMBL1982133 | 215951 | 0 | None | -3388 | 60 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
DB00696 | 215951 | 0 | None | -3388 | 60 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
5311064 | 1365 | 46 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | None | |||
534 | 1365 | 46 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | None | |||
806 | 1365 | 46 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | None | |||
CHEMBL493682 | 1365 | 46 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | None | |||
137 | 370 | 52 | 125I-CYP | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
2119 | 370 | 52 | 125I-CYP | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
563 | 370 | 52 | 125I-CYP | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
66368 | 370 | 52 | 125I-CYP | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
CHEMBL266195 | 370 | 52 | 125I-CYP | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
DB00866 | 370 | 52 | 125I-CYP | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
2810 | 67600 | 55 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | None | |||
CHEMBL1902627 | 67600 | 55 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | None | |||
31101 | 728 | 40 | None | -245 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
35 | 728 | 40 | None | -245 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
403 | 728 | 40 | None | -245 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
CHEMBL493 | 728 | 40 | None | -245 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
DB01200 | 728 | 40 | None | -245 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
1028 | 291 | 71 | None | -66 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
139148732 | 291 | 71 | None | -66 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
479 | 291 | 71 | None | -66 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
5816 | 291 | 71 | None | -66 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
CHEMBL679 | 291 | 71 | None | -66 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
DB00668 | 291 | 71 | None | -66 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
135398737 | 957 | 93 | 125I-ICYP | -269 | 91 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 957 | 93 | 125I-ICYP | -269 | 91 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 957 | 93 | 125I-ICYP | -269 | 91 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 957 | 93 | 125I-ICYP | -269 | 91 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 957 | 93 | 125I-ICYP | -269 | 91 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
135398745 | 2912 | 112 | 125I-ICYP | -331 | 66 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
47 | 2912 | 112 | 125I-ICYP | -331 | 66 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
CHEMBL715 | 2912 | 112 | 125I-ICYP | -331 | 66 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
DB00334 | 2912 | 112 | 125I-ICYP | -331 | 66 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
2181 | 3126 | 46 | 125I-ICYP | -134 | 35 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
4830 | 3126 | 46 | 125I-ICYP | -134 | 35 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
92 | 3126 | 46 | 125I-ICYP | -134 | 35 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
CHEMBL440294 | 3126 | 46 | 125I-ICYP | -134 | 35 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
DB09286 | 3126 | 46 | 125I-ICYP | -134 | 35 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
2337 | 3254 | 77 | 125I-ICYP | -72 | 63 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
50 | 3254 | 77 | 125I-ICYP | -72 | 63 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
5002 | 3254 | 77 | 125I-ICYP | -72 | 63 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
CHEMBL716 | 3254 | 77 | 125I-ICYP | -72 | 63 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
DB01224 | 3254 | 77 | 125I-ICYP | -72 | 63 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
2389 | 3329 | 118 | 125I-ICYP | -1737 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
5073 | 3329 | 118 | 125I-ICYP | -1737 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
96 | 3329 | 118 | 125I-ICYP | -1737 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
CHEMBL85 | 3329 | 118 | 125I-ICYP | -1737 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
DB00734 | 3329 | 118 | 125I-ICYP | -1737 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
2435 | 3588 | 83 | 125I-ICYP | -316 | 49 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
60149 | 3588 | 83 | 125I-ICYP | -316 | 49 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
98 | 3588 | 83 | 125I-ICYP | -316 | 49 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
CHEMBL12713 | 3588 | 83 | 125I-ICYP | -316 | 49 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
DB06144 | 3588 | 83 | 125I-ICYP | -316 | 49 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
115237 | 55583 | 119 | 125I-ICYP | -2754 | 55 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
CHEMBL1621 | 55583 | 119 | 125I-ICYP | -2754 | 55 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
DB01267 | 55583 | 119 | 125I-ICYP | -2754 | 55 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
3036780 | 107529 | 20 | 125I-ICYP | -954 | 54 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
46780481 | 107529 | 20 | 125I-ICYP | -954 | 54 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
9903970 | 107529 | 20 | 125I-ICYP | -954 | 54 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL3187365 | 107529 | 20 | 125I-ICYP | -954 | 54 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL3544974 | 107529 | 20 | 125I-ICYP | -954 | 54 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL504548 | 107529 | 20 | 125I-ICYP | -954 | 54 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
DB06216 | 107529 | 20 | 125I-ICYP | -954 | 54 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
31101 | 728 | 40 | 3H-CGP-12177 | -245 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
35 | 728 | 40 | 3H-CGP-12177 | -245 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
403 | 728 | 40 | 3H-CGP-12177 | -245 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
CHEMBL493 | 728 | 40 | 3H-CGP-12177 | -245 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
DB01200 | 728 | 40 | 3H-CGP-12177 | -245 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
1222 | 1662 | 49 | 125I-ICYP | -100 | 33 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
3396 | 1662 | 49 | 125I-ICYP | -100 | 33 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
85 | 1662 | 49 | 125I-ICYP | -100 | 33 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
CHEMBL46516 | 1662 | 49 | 125I-ICYP | -100 | 33 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
DB04842 | 1662 | 49 | 125I-ICYP | -100 | 33 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
1960 | 2855 | 67 | None | -20 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
439260 | 2855 | 67 | None | -20 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
505 | 2855 | 67 | None | -20 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
CHEMBL1437 | 2855 | 67 | None | -20 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
DB00368 | 2855 | 67 | None | -20 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
66265 | 94011 | 15 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | |||
CHEMBL248702 | 94011 | 15 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | |||
2419 | 3461 | 84 | None | -154 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
5152 | 3461 | 84 | None | -154 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
559 | 3461 | 84 | None | -154 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
CHEMBL1263 | 3461 | 84 | None | -154 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
DB00938 | 3461 | 84 | None | -154 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
2464 | 3638 | 58 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
5253 | 3638 | 58 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
7297 | 3638 | 58 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
CHEMBL471 | 3638 | 58 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
DB00489 | 3638 | 58 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
2419 | 3461 | 84 | 125I-ICYP | -154 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
5152 | 3461 | 84 | 125I-ICYP | -154 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
559 | 3461 | 84 | 125I-ICYP | -154 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
CHEMBL1263 | 3461 | 84 | 125I-ICYP | -154 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
DB00938 | 3461 | 84 | 125I-ICYP | -154 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
3083544 | 26807 | 51 | 125I-ICYP | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1200811 | 26807 | 51 | 125I-ICYP | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1363 | 26807 | 51 | 125I-ICYP | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1951071 | 26807 | 51 | 125I-ICYP | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL605993 | 26807 | 51 | 125I-ICYP | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
DB00983 | 26807 | 51 | 125I-ICYP | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
DB01274 | 26807 | 51 | 125I-ICYP | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
1222 | 1662 | 49 | None | -100 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
3396 | 1662 | 49 | None | -100 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
85 | 1662 | 49 | None | -100 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
CHEMBL46516 | 1662 | 49 | None | -100 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
DB04842 | 1662 | 49 | None | -100 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
2419 | 3461 | 84 | None | -15 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
5152 | 3461 | 84 | None | -15 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
559 | 3461 | 84 | None | -15 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
CHEMBL1263 | 3461 | 84 | None | -15 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
DB00938 | 3461 | 84 | None | -15 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
1960 | 2855 | 67 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
439260 | 2855 | 67 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
505 | 2855 | 67 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
CHEMBL1437 | 2855 | 67 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
DB00368 | 2855 | 67 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
1588 | 2323 | 27 | None | -151 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
28864 | 2323 | 27 | None | -151 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
43 | 2323 | 27 | None | -151 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
CHEMBL157138 | 2323 | 27 | None | -151 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
DB00589 | 2323 | 27 | None | -151 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
3083544 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1200811 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1363 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL1951071 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
CHEMBL605993 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
DB00983 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
DB01274 | 26807 | 51 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
2258 | 3163 | 40 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | |||
42396 | 3163 | 40 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | |||
537 | 3163 | 40 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | |||
CHEMBL1160714 | 3163 | 40 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | |||
DB13777 | 3163 | 40 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | |||
68770 | 44649 | 54 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | None | |||
CHEMBL152067 | 44649 | 54 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | None | |||
443372 | 10232 | 26 | None | -1 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | |||
CHEMBL1160723 | 10232 | 26 | None | -1 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | |||
CHEMBL2062275 | 10232 | 26 | None | -1 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | |||
1499 | 2089 | 47 | None | -5 | 17 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
3779 | 2089 | 47 | None | -5 | 17 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
536 | 2089 | 47 | None | -5 | 17 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
CHEMBL434 | 2089 | 47 | None | -5 | 17 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
DB01064 | 2089 | 47 | None | -5 | 17 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
2291 | 3182 | 58 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
2561 | 3182 | 58 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
4932 | 3182 | 58 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
CHEMBL631 | 3182 | 58 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
DB01182 | 3182 | 58 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
3486 | 3155 | 56 | None | 1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
4883 | 3155 | 56 | None | 1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
555 | 3155 | 56 | None | 1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
CHEMBL6995 | 3155 | 56 | None | 1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
DB01297 | 3155 | 56 | None | 1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
175540 | 119253 | 49 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
CHEMBL343633 | 119253 | 49 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
1621 | 2427 | 17 | None | -102 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
17 | 2427 | 17 | None | -102 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
5761 | 2427 | 17 | None | -102 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
CHEMBL263881 | 2427 | 17 | None | -102 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
DB04829 | 2427 | 17 | None | -102 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
242 | 470 | 124 | None | -22 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
34 | 470 | 124 | None | -22 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
60795 | 470 | 124 | None | -22 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
CHEMBL1112 | 470 | 124 | None | -22 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
DB01238 | 470 | 124 | None | -22 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
1054 | 1584 | 54 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
59768 | 1584 | 54 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
7178 | 1584 | 54 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
CHEMBL768 | 1584 | 54 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
DB00187 | 1584 | 54 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
11823027 | 192614 | 37 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
4411 | 192614 | 37 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
CHEMBL3246778 | 192614 | 37 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
CHEMBL521606 | 192614 | 37 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
DB01203 | 192614 | 37 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
1960 | 2855 | 67 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
439260 | 2855 | 67 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
505 | 2855 | 67 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
CHEMBL1437 | 2855 | 67 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
DB00368 | 2855 | 67 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
135409468 | 2033 | 69 | 125I-Pindolol | -2238 | 40 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
333 | 2033 | 69 | 125I-Pindolol | -2238 | 40 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
CHEMBL845 | 2033 | 69 | 125I-Pindolol | -2238 | 40 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
1786 | 2518 | 85 | 125I-ICYP | -21 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
4171 | 2518 | 85 | 125I-ICYP | -21 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
553 | 2518 | 85 | 125I-ICYP | -21 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
CHEMBL13 | 2518 | 85 | 125I-ICYP | -21 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
DB00264 | 2518 | 85 | 125I-ICYP | -21 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
2601 | 3778 | 33 | 3H-CGP-12177 | -72 | 21 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
443951 | 3778 | 33 | 3H-CGP-12177 | -72 | 21 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
56 | 3778 | 33 | 3H-CGP-12177 | -72 | 21 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
CHEMBL73151 | 3778 | 33 | 3H-CGP-12177 | -72 | 21 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
DB13399 | 3778 | 33 | 3H-CGP-12177 | -72 | 21 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
1588 | 2323 | 27 | 3H-CGP-12177 | -151 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
28864 | 2323 | 27 | 3H-CGP-12177 | -151 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
43 | 2323 | 27 | 3H-CGP-12177 | -151 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
CHEMBL157138 | 2323 | 27 | 3H-CGP-12177 | -151 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
DB00589 | 2323 | 27 | 3H-CGP-12177 | -151 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
4183 | 2023 | 68 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | |||
6918554 | 2023 | 68 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | |||
7455 | 2023 | 68 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | |||
CHEMBL1095777 | 2023 | 68 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | |||
DB05039 | 2023 | 68 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | |||
12582 | 949 | 45 | None | -3 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | |||
2783 | 949 | 45 | None | -3 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | |||
CHEMBL49080 | 949 | 45 | None | -3 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | |||
DB01407 | 949 | 45 | None | -3 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | |||
11978813 | 720 | 79 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
5014 | 720 | 79 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
7672 | 720 | 79 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
CHEMBL2105760 | 720 | 79 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
DB09128 | 720 | 79 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
2176 | 3125 | 68 | 125I-ICYP | -22 | 27 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
4828 | 3125 | 68 | 125I-ICYP | -22 | 27 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
91 | 3125 | 68 | 125I-ICYP | -22 | 27 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
CHEMBL500 | 3125 | 68 | 125I-ICYP | -22 | 27 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
DB00960 | 3125 | 68 | 125I-ICYP | -22 | 27 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
1978 | 250 | 60 | None | -15 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
40 | 250 | 60 | None | -15 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
7107 | 250 | 60 | None | -15 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
CHEMBL642 | 250 | 60 | None | -15 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
DB01193 | 250 | 60 | None | -15 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
255 | 512 | 111 | None | -5 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
548 | 512 | 111 | None | -5 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
1786 | 2518 | 85 | None | 1 | 11 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
4171 | 2518 | 85 | None | 1 | 11 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
553 | 2518 | 85 | None | 1 | 11 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
CHEMBL13 | 2518 | 85 | None | 1 | 11 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
DB00264 | 2518 | 85 | None | 1 | 11 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
11504295 | 2921 | 47 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
4814 | 2921 | 47 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
7543 | 2921 | 47 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
CHEMBL605846 | 2921 | 47 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
DB09080 | 2921 | 47 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
4806 | 4006 | 88 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
71768094 | 4006 | 88 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
7351 | 4006 | 88 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
9966051 | 4006 | 88 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
CHEMBL2104993 | 4006 | 88 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
DB09068 | 4006 | 88 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
1786 | 2518 | 85 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
4171 | 2518 | 85 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
553 | 2518 | 85 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
CHEMBL13 | 2518 | 85 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
DB00264 | 2518 | 85 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
2405 | 664 | 76 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
380 | 664 | 76 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
7129 | 664 | 76 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
CHEMBL645 | 664 | 76 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
DB00612 | 664 | 76 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
4631 | 194970 | 29 | 125I-ICYP | 1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | |||
CHEMBL546 | 194970 | 29 | 125I-ICYP | 1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | |||
DB01580 | 194970 | 29 | 125I-ICYP | 1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | |||
21268191 | 89645 | 0 | UNDEFINED | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 340 | 6 | 3 | 3 | 3.5 | OC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 | None | |||
CHEMBL237572 | 89645 | 0 | UNDEFINED | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 340 | 6 | 3 | 3 | 3.5 | OC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 | None | |||
105 | 3459 | 91 | 125I-ICYP | -181 | 6 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
2083 | 3459 | 91 | 125I-ICYP | -181 | 6 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
558 | 3459 | 91 | 125I-ICYP | -181 | 6 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
CHEMBL714 | 3459 | 91 | 125I-ICYP | -181 | 6 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
DB01001 | 3459 | 91 | 125I-ICYP | -181 | 6 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
119376 | 1839 | 48 | 3H-CGP-26505 | -43651 | 27 | Rat | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | |||
247 | 1839 | 48 | 3H-CGP-26505 | -43651 | 27 | Rat | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | |||
CHEMBL33884 | 1839 | 48 | 3H-CGP-26505 | -43651 | 27 | Rat | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | |||
146294 | 927 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | |||
552 | 927 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | |||
637 | 927 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | |||
CHEMBL2110772 | 927 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | |||
2663 | 98760 | 34 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | None | |||
CHEMBL27810 | 98760 | 34 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | None | |||
DB04846 | 98760 | 34 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | None | |||
4631 | 194970 | 29 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | |||
CHEMBL546 | 194970 | 29 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | |||
DB01580 | 194970 | 29 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | |||
71733 | 217696 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 261 | 4 | 2 | 3 | 3.4 | CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C | None | |||
1531 | 2264 | 69 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
3869 | 2264 | 69 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
7207 | 2264 | 69 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
CHEMBL429 | 2264 | 69 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
DB00598 | 2264 | 69 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
2405 | 664 | 76 | None | 2 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
380 | 664 | 76 | None | 2 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
7129 | 664 | 76 | None | 2 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
CHEMBL645 | 664 | 76 | None | 2 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
DB00612 | 664 | 76 | None | 2 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
3914 | 739 | 35 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
39468 | 739 | 35 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
431 | 739 | 35 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
570 | 739 | 35 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
CHEMBL1201237 | 739 | 35 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
CHEMBL293030 | 739 | 35 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
DB01210 | 739 | 35 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
118422671 | 2755 | 65 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
1887 | 2755 | 65 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
189562 | 2755 | 65 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
71301 | 2755 | 65 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
7246 | 2755 | 65 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
9844194 | 2755 | 65 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
CHEMBL2365658 | 2755 | 65 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
CHEMBL3526436 | 2755 | 65 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
CHEMBL434394 | 2755 | 65 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
DB04861 | 2755 | 65 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
2303 | 3185 | 68 | None | -46 | 26 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
4946 | 3185 | 68 | None | -46 | 26 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
564 | 3185 | 68 | None | -46 | 26 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
63 | 3185 | 68 | None | -46 | 26 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
91536 | 3185 | 68 | None | -46 | 26 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL27 | 3185 | 68 | None | -46 | 26 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL452861 | 3185 | 68 | None | -46 | 26 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
DB00571 | 3185 | 68 | None | -46 | 26 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
2303 | 3185 | 68 | None | -10 | 26 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
4946 | 3185 | 68 | None | -10 | 26 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
564 | 3185 | 68 | None | -10 | 26 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
63 | 3185 | 68 | None | -10 | 26 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
91536 | 3185 | 68 | None | -10 | 26 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL27 | 3185 | 68 | None | -10 | 26 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL452861 | 3185 | 68 | None | -10 | 26 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
DB00571 | 3185 | 68 | None | -10 | 26 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
37464 | 19219 | 26 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | None | |||
CHEMBL1290 | 19219 | 26 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | None | |||
DB01359 | 19219 | 26 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | None | |||
21138 | 98449 | 39 | 125I-ICYP | -1 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | None | |||
CHEMBL275742 | 98449 | 39 | 125I-ICYP | -1 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | None | |||
2475 | 740 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
433 | 740 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
550 | 740 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
CHEMBL305380 | 740 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
DB08808 | 740 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
33624 | 3819 | 34 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
4061 | 3819 | 34 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
565 | 3819 | 34 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
CHEMBL499 | 3819 | 34 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
DB00373 | 3819 | 34 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
2585 | 802 | 103 | None | -4 | 22 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
522 | 802 | 103 | None | -4 | 22 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
551 | 802 | 103 | None | -4 | 22 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
CHEMBL723 | 802 | 103 | None | -4 | 22 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
DB01136 | 802 | 103 | None | -4 | 22 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
60657 | 14484 | 34 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | None | |||
CHEMBL1201274 | 14484 | 34 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | None | |||
DB09351 | 14484 | 34 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | None | |||
2583 | 205892 | 51 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | None | |||
CHEMBL839 | 205892 | 51 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | None | |||
DB00521 | 205892 | 51 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | None | |||
2176 | 3125 | 68 | None | -4 | 27 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
4828 | 3125 | 68 | None | -4 | 27 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
91 | 3125 | 68 | None | -4 | 27 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
CHEMBL500 | 3125 | 68 | None | -4 | 27 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
DB00960 | 3125 | 68 | None | -4 | 27 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
2585 | 802 | 103 | None | -1 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
522 | 802 | 103 | None | -1 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
551 | 802 | 103 | None | -1 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
CHEMBL723 | 802 | 103 | None | -1 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
DB01136 | 802 | 103 | None | -1 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
44112 | 121288 | 48 | None | -2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | |||
CHEMBL357995 | 121288 | 48 | None | -2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | |||
2249 | 512 | 111 | 125I-ICYP | -2 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
255 | 512 | 111 | 125I-ICYP | -2 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
548 | 512 | 111 | 125I-ICYP | -2 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
CHEMBL24 | 512 | 111 | 125I-ICYP | -2 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
DB00335 | 512 | 111 | 125I-ICYP | -2 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
128658 | 33973 | 7 | 125I-ICYP | -11 | 5 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | None | |||
CHEMBL142428 | 33973 | 7 | 125I-ICYP | -11 | 5 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | None | |||
2249 | 512 | 111 | 125I-ICYP | -2 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
255 | 512 | 111 | 125I-ICYP | -2 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
548 | 512 | 111 | 125I-ICYP | -2 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
CHEMBL24 | 512 | 111 | 125I-ICYP | -2 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
DB00335 | 512 | 111 | 125I-ICYP | -2 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
3337 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
65801 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
66264 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
91452 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
CHEMBL87493 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
DB00574 | 206365 | 27 | 125I-Pindolol | -58 | 41 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
118422671 | 2755 | 65 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
1887 | 2755 | 65 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
189562 | 2755 | 65 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
71301 | 2755 | 65 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
7246 | 2755 | 65 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
9844194 | 2755 | 65 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
CHEMBL2365658 | 2755 | 65 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
CHEMBL3526436 | 2755 | 65 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
CHEMBL434394 | 2755 | 65 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
DB04861 | 2755 | 65 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
2598 | 3776 | 58 | None | -239 | 5 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | |||
5403 | 3776 | 58 | None | -239 | 5 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | |||
560 | 3776 | 58 | None | -239 | 5 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | |||
CHEMBL1760 | 3776 | 58 | None | -239 | 5 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | |||
DB00871 | 3776 | 58 | None | -239 | 5 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | |||
123600 | 2312 | 0 | None | -23 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | |||
1575 | 2312 | 0 | None | -23 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | |||
9816 | 2312 | 0 | None | -23 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | |||
CHEMBL1002 | 2312 | 0 | None | -23 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | |||
DB13139 | 2312 | 0 | None | -23 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | |||
1155 | 1627 | 53 | None | -42 | 5 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
3343 | 1627 | 53 | None | -42 | 5 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
557 | 1627 | 53 | None | -42 | 5 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
CHEMBL32800 | 1627 | 53 | None | -42 | 5 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
DB01288 | 1627 | 53 | None | -42 | 5 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
567 | 724 | 16 | None | -13 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | |||
9841972 | 724 | 16 | None | -13 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | |||
CHEMBL284782 | 724 | 16 | None | -13 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | |||
36811 | 1453 | 37 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10531390 | |||
36811 | 1453 | 37 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | |||
535 | 1453 | 37 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10531390 | |||
535 | 1453 | 37 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | |||
937 | 1453 | 37 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10531390 | |||
937 | 1453 | 37 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | |||
CHEMBL926 | 1453 | 37 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10531390 | |||
CHEMBL926 | 1453 | 37 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | |||
DB00841 | 1453 | 37 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10531390 | |||
DB00841 | 1453 | 37 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | |||
1028 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
1028 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
1028 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
139148732 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
139148732 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
139148732 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
479 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
479 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
479 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
5816 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
5816 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
5816 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
CHEMBL679 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
CHEMBL679 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
CHEMBL679 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
DB00668 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
DB00668 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
DB00668 | 291 | 71 | None | -70 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
1960 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
1960 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
1960 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
439260 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
439260 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
439260 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
505 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
505 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
505 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
CHEMBL1437 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
CHEMBL1437 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
CHEMBL1437 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
DB00368 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
DB00368 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
DB00368 | 2855 | 67 | None | -20 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
5311064 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10531390 | |||
5311064 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | |||
5311064 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 7902433 | |||
534 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10531390 | |||
534 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | |||
534 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 7902433 | |||
806 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10531390 | |||
806 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | |||
806 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 7902433 | |||
CHEMBL493682 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10531390 | |||
CHEMBL493682 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | |||
CHEMBL493682 | 1365 | 46 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 7902433 | |||
2464 | 3638 | 58 | None | -2 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | |||
5253 | 3638 | 58 | None | -2 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | |||
7297 | 3638 | 58 | None | -2 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | |||
CHEMBL471 | 3638 | 58 | None | -2 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | |||
DB00489 | 3638 | 58 | None | -2 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | |||
484 | 2856 | 51 | None | -19 | 35 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 2849109 | |||
951 | 2856 | 51 | None | -19 | 35 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 2849109 | |||
CHEMBL432 | 2856 | 51 | None | -19 | 35 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 2849109 | |||
4508 | 3137 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
4866774 | 3137 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
509 | 3137 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
838 | 3137 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
CHEMBL1740 | 3137 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
DB11124 | 3137 | 98 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
1239 | 1675 | 55 | None | -53 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | |||
1239 | 1675 | 55 | None | -53 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20655218 | |||
3410 | 1675 | 55 | None | -53 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | |||
3410 | 1675 | 55 | None | -53 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20655218 | |||
3465 | 1675 | 55 | None | -53 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | |||
3465 | 1675 | 55 | None | -53 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20655218 | |||
CHEMBL1256786 | 1675 | 55 | None | -53 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | |||
CHEMBL1256786 | 1675 | 55 | None | -53 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20655218 | |||
DB00983 | 1675 | 55 | None | -53 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | |||
DB00983 | 1675 | 55 | None | -53 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20655218 | |||
3486 | 3155 | 56 | None | 1 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10079020 | |||
3486 | 3155 | 56 | None | 1 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 15655528 | |||
4883 | 3155 | 56 | None | 1 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10079020 | |||
4883 | 3155 | 56 | None | 1 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 15655528 | |||
555 | 3155 | 56 | None | 1 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10079020 | |||
555 | 3155 | 56 | None | 1 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 15655528 | |||
CHEMBL6995 | 3155 | 56 | None | 1 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10079020 | |||
CHEMBL6995 | 3155 | 56 | None | 1 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 15655528 | |||
DB01297 | 3155 | 56 | None | 1 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10079020 | |||
DB01297 | 3155 | 56 | None | 1 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 15655528 | |||
1978 | 250 | 60 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 15655528 | |||
40 | 250 | 60 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 15655528 | |||
7107 | 250 | 60 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 15655528 | |||
CHEMBL642 | 250 | 60 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 15655528 | |||
DB01193 | 250 | 60 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 15655528 | |||
1499 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
1499 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 2849109 | |||
1499 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
3779 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
3779 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 2849109 | |||
3779 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
536 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
536 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 2849109 | |||
536 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
CHEMBL434 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
CHEMBL434 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 2849109 | |||
CHEMBL434 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
DB01064 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
DB01064 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 2849109 | |||
DB01064 | 2089 | 47 | None | -53 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
12578 | 935 | 61 | None | 19 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | |||
2755 | 935 | 61 | None | 19 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | |||
CHEMBL1374751 | 935 | 61 | None | 19 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | |||
2258 | 3163 | 40 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10531390 | |||
2258 | 3163 | 40 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 2564629 | |||
42396 | 3163 | 40 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10531390 | |||
42396 | 3163 | 40 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 2564629 | |||
537 | 3163 | 40 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10531390 | |||
537 | 3163 | 40 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 2564629 | |||
CHEMBL1160714 | 3163 | 40 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10531390 | |||
CHEMBL1160714 | 3163 | 40 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 2564629 | |||
DB13777 | 3163 | 40 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10531390 | |||
DB13777 | 3163 | 40 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 2564629 | |||
4183 | 2023 | 68 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | |||
6918554 | 2023 | 68 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | |||
7455 | 2023 | 68 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | |||
CHEMBL1095777 | 2023 | 68 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | |||
DB05039 | 2023 | 68 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | |||
2291 | 3182 | 58 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
2561 | 3182 | 58 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
4932 | 3182 | 58 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
CHEMBL631 | 3182 | 58 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
DB01182 | 3182 | 58 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
1054 | 1584 | 54 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 27451411 | |||
59768 | 1584 | 54 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 27451411 | |||
7178 | 1584 | 54 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 27451411 | |||
CHEMBL768 | 1584 | 54 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 27451411 | |||
DB00187 | 1584 | 54 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 27451411 | |||
39147 | 2710 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
554 | 2710 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
CHEMBL649 | 2710 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
DB01203 | 2710 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
114905 | 2269 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 509 | 13 | 3 | 9 | 0.7 | CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C | 27451411 | |||
13192 | 2269 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 509 | 13 | 3 | 9 | 0.7 | CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C | 27451411 | |||
CHEMBL1742466 | 2269 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 509 | 13 | 3 | 9 | 0.7 | CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C | 27451411 | |||
DB12212 | 2269 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 509 | 13 | 3 | 9 | 0.7 | CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C | 27451411 | |||
155774 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10531390 | |||
155774 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 15655528 | |||
2848 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10531390 | |||
2848 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 15655528 | |||
538 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10531390 | |||
538 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 15655528 | |||
CHEMBL75753 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10531390 | |||
CHEMBL75753 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 15655528 | |||
DB13781 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10531390 | |||
DB13781 | 4094 | 40 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 15655528 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15060759 | |||
2249 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15060759 | |||
255 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15060759 | |||
548 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15060759 | |||
CHEMBL24 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15060759 | |||
DB00335 | 512 | 111 | None | -5 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | |||
1786 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
1786 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10411574 | |||
1786 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14645666 | |||
1786 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14730417 | |||
1786 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 15655528 | |||
4171 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
4171 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10411574 | |||
4171 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14645666 | |||
4171 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14730417 | |||
4171 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 15655528 | |||
553 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
553 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10411574 | |||
553 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14645666 | |||
553 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14730417 | |||
553 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 15655528 | |||
CHEMBL13 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
CHEMBL13 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10411574 | |||
CHEMBL13 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14645666 | |||
CHEMBL13 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14730417 | |||
CHEMBL13 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 15655528 | |||
DB00264 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
DB00264 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10411574 | |||
DB00264 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14645666 | |||
DB00264 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14730417 | |||
DB00264 | 2518 | 85 | None | -1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 15655528 | |||
12582 | 949 | 45 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | |||
12582 | 949 | 45 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | |||
2783 | 949 | 45 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | |||
2783 | 949 | 45 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | |||
CHEMBL49080 | 949 | 45 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | |||
CHEMBL49080 | 949 | 45 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | |||
DB01407 | 949 | 45 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | |||
DB01407 | 949 | 45 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | |||
2405 | 664 | 76 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 28400472 | |||
380 | 664 | 76 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 28400472 | |||
7129 | 664 | 76 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 28400472 | |||
CHEMBL645 | 664 | 76 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 28400472 | |||
DB00612 | 664 | 76 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 28400472 | |||
1531 | 2264 | 69 | None | -1 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 14645666 | |||
1531 | 2264 | 69 | None | -1 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 15655528 | |||
3869 | 2264 | 69 | None | -1 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 14645666 | |||
3869 | 2264 | 69 | None | -1 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 15655528 | |||
7207 | 2264 | 69 | None | -1 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 14645666 | |||
7207 | 2264 | 69 | None | -1 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 15655528 | |||
CHEMBL429 | 2264 | 69 | None | -1 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 14645666 | |||
CHEMBL429 | 2264 | 69 | None | -1 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 15655528 | |||
DB00598 | 2264 | 69 | None | -1 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 14645666 | |||
DB00598 | 2264 | 69 | None | -1 | 16 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 15655528 | |||
156297 | 3348 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 363 | 10 | 4 | 7 | 1.7 | COc1cc(CCNCC(COc2ccc(c(c2)O)O)O)ccc1OC | 9117106 | |||
5571 | 3348 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 363 | 10 | 4 | 7 | 1.7 | COc1cc(CCNCC(COc2ccc(c(c2)O)O)O)ccc1OC | 9117106 | |||
5311452 | 3669 | 11 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | |||
5311452 | 3669 | 11 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 15655528 | |||
5311452 | 3669 | 11 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 20590599 | |||
547 | 3669 | 11 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | |||
547 | 3669 | 11 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 15655528 | |||
547 | 3669 | 11 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 20590599 | |||
CHEMBL1326499 | 3669 | 11 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | |||
CHEMBL1326499 | 3669 | 11 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 15655528 | |||
CHEMBL1326499 | 3669 | 11 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 20590599 | |||
2475 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
2475 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
2475 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | |||
433 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
433 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
433 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | |||
550 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
550 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
550 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | |||
CHEMBL305380 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
CHEMBL305380 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
CHEMBL305380 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | |||
DB08808 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
DB08808 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
DB08808 | 740 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | |||
12579 | 2750 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 470 | 14 | 4 | 7 | 3.7 | O[C@@H](CNCCOC1=CC=C(C=C1)C(O)=N)COC2=CC3=C(O[C@H](CCCC4CC4)CO3)C=C2 | 28400472 | |||
167993658 | 2750 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 470 | 14 | 4 | 7 | 3.7 | O[C@@H](CNCCOC1=CC=C(C=C1)C(O)=N)COC2=CC3=C(O[C@H](CCCC4CC4)CO3)C=C2 | 28400472 | |||
5311116 | 2332 | 9 | None | 48 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10079020 | |||
5311116 | 2332 | 9 | None | 48 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 28400472 | |||
544 | 2332 | 9 | None | 48 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10079020 | |||
544 | 2332 | 9 | None | 48 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 28400472 | |||
CHEMBL207802 | 2332 | 9 | None | 48 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10079020 | |||
CHEMBL207802 | 2332 | 9 | None | 48 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 28400472 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
2303 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
4946 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
564 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
63 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
91536 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
CHEMBL27 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
CHEMBL452861 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
DB00571 | 3185 | 68 | None | -9 | 26 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
3914 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
39468 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
431 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
570 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
CHEMBL1201237 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
CHEMBL293030 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
DB01210 | 739 | 35 | None | -3 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
2685 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10079020 | |||
2685 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10411574 | |||
2685 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 15655528 | |||
2685 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 26385885 | |||
2685 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 27588207 | |||
541 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10079020 | |||
541 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10411574 | |||
541 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 15655528 | |||
541 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 26385885 | |||
541 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 27588207 | |||
CHEMBL280822 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10079020 | |||
CHEMBL280822 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10411574 | |||
CHEMBL280822 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 15655528 | |||
CHEMBL280822 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 26385885 | |||
CHEMBL280822 | 889 | 21 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 27588207 | |||
12580 | 2751 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 482 | 13 | 3 | 7 | 3.1 | O[C@@H](CNCCOC1=CC=C2C(=O)NCC2=C1)COC3=CC4=C(O[C@H](CCCC5CC5)CO4)C=C3 | 28400472 | |||
167993659 | 2751 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 482 | 13 | 3 | 7 | 3.1 | O[C@@H](CNCCOC1=CC=C2C(=O)NCC2=C1)COC3=CC4=C(O[C@H](CCCC5CC5)CO4)C=C3 | 28400472 | |||
33624 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 14645666 | |||
33624 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15060759 | |||
33624 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | |||
4061 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 14645666 | |||
4061 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15060759 | |||
4061 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | |||
565 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 14645666 | |||
565 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15060759 | |||
565 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | |||
CHEMBL499 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 14645666 | |||
CHEMBL499 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15060759 | |||
CHEMBL499 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | |||
DB00373 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 14645666 | |||
DB00373 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15060759 | |||
DB00373 | 3819 | 34 | None | -6 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | |||
2369 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | |||
2369 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | |||
2369 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 15655528 | |||
356 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | |||
356 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | |||
356 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 15655528 | |||
549 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | |||
549 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | |||
549 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 15655528 | |||
CHEMBL423 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | |||
CHEMBL423 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | |||
CHEMBL423 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 15655528 | |||
DB00195 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | |||
DB00195 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | |||
DB00195 | 621 | 80 | None | 3 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 15655528 | |||
123686 | 1979 | 51 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 23614528 | |||
12581 | 1979 | 51 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 23614528 | |||
CHEMBL11268 | 1979 | 51 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 23614528 | |||
2176 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | |||
2176 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
4828 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | |||
4828 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
91 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | |||
91 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
CHEMBL500 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | |||
CHEMBL500 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
DB00960 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | |||
DB00960 | 3125 | 68 | None | -4 | 27 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
2687 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15060759 | |||
2687 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
2687 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 27588207 | |||
532 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15060759 | |||
532 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
532 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 27588207 | |||
5387 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15060759 | |||
5387 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
5387 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 27588207 | |||
CHEMBL420746 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15060759 | |||
CHEMBL420746 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
CHEMBL420746 | 888 | 16 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 27588207 | |||
2176 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 14645666 | |||
2176 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15060759 | |||
2176 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
4828 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 14645666 | |||
4828 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15060759 | |||
4828 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
91 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 14645666 | |||
91 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15060759 | |||
91 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
CHEMBL500 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 14645666 | |||
CHEMBL500 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15060759 | |||
CHEMBL500 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
DB00960 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 14645666 | |||
DB00960 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15060759 | |||
DB00960 | 3125 | 68 | None | -4 | 27 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
2585 | 802 | 103 | None | -1 | 22 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
2585 | 802 | 103 | None | -1 | 22 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
522 | 802 | 103 | None | -1 | 22 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
522 | 802 | 103 | None | -1 | 22 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
551 | 802 | 103 | None | -1 | 22 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
551 | 802 | 103 | None | -1 | 22 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
CHEMBL723 | 802 | 103 | None | -1 | 22 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
CHEMBL723 | 802 | 103 | None | -1 | 22 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
DB01136 | 802 | 103 | None | -1 | 22 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
DB01136 | 802 | 103 | None | -1 | 22 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
13193 | 735 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 363 | 8 | 3 | 4 | 3.4 | CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O | 20590599 | |||
51045 | 735 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 363 | 8 | 3 | 4 | 3.4 | CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O | 20590599 | |||
CHEMBL321582 | 735 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 363 | 8 | 3 | 4 | 3.4 | CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O | 20590599 | |||
DB12752 | 735 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 363 | 8 | 3 | 4 | 3.4 | CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O | 20590599 | |||
2687 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
2687 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
2687 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
532 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
532 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
532 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
5387 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
5387 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
5387 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
CHEMBL420746 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
CHEMBL420746 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
CHEMBL420746 | 888 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
135398737 | 957 | 93 | None | -269 | 91 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 957 | 93 | None | -269 | 91 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 957 | 93 | None | -269 | 91 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 957 | 93 | None | -269 | 91 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 957 | 93 | None | -269 | 91 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
135398745 | 2912 | 112 | None | -331 | 66 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
47 | 2912 | 112 | None | -331 | 66 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
CHEMBL715 | 2912 | 112 | None | -331 | 66 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
DB00334 | 2912 | 112 | None | -331 | 66 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
2181 | 3126 | 46 | None | -134 | 35 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
4830 | 3126 | 46 | None | -134 | 35 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
92 | 3126 | 46 | None | -134 | 35 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
CHEMBL440294 | 3126 | 46 | None | -134 | 35 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
DB09286 | 3126 | 46 | None | -134 | 35 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
2337 | 3254 | 77 | None | -72 | 63 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
50 | 3254 | 77 | None | -72 | 63 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
5002 | 3254 | 77 | None | -72 | 63 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
CHEMBL716 | 3254 | 77 | None | -72 | 63 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
DB01224 | 3254 | 77 | None | -72 | 63 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
2389 | 3329 | 118 | None | -1737 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
5073 | 3329 | 118 | None | -1737 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
96 | 3329 | 118 | None | -1737 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
CHEMBL85 | 3329 | 118 | None | -1737 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
DB00734 | 3329 | 118 | None | -1737 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
2435 | 3588 | 83 | None | -316 | 49 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
60149 | 3588 | 83 | None | -316 | 49 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
98 | 3588 | 83 | None | -316 | 49 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
CHEMBL12713 | 3588 | 83 | None | -316 | 49 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
DB06144 | 3588 | 83 | None | -316 | 49 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
115237 | 55583 | 119 | None | -2754 | 55 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
CHEMBL1621 | 55583 | 119 | None | -2754 | 55 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
DB01267 | 55583 | 119 | None | -2754 | 55 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
3036780 | 107529 | 20 | None | -954 | 54 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
46780481 | 107529 | 20 | None | -954 | 54 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
9903970 | 107529 | 20 | None | -954 | 54 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL3187365 | 107529 | 20 | None | -954 | 54 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL3544974 | 107529 | 20 | None | -954 | 54 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL504548 | 107529 | 20 | None | -954 | 54 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
DB06216 | 107529 | 20 | None | -954 | 54 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
1028 | 291 | 71 | None | -70 | 30 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
139148732 | 291 | 71 | None | -70 | 30 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
479 | 291 | 71 | None | -70 | 30 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
5816 | 291 | 71 | None | -70 | 30 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
CHEMBL679 | 291 | 71 | None | -70 | 30 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
DB00668 | 291 | 71 | None | -70 | 30 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
3337 | 206365 | 27 | None | -58 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
65801 | 206365 | 27 | None | -58 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
66264 | 206365 | 27 | None | -58 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
91452 | 206365 | 27 | None | -58 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
CHEMBL87493 | 206365 | 27 | None | -58 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
DB00574 | 206365 | 27 | None | -58 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
2601 | 3778 | 33 | None | -72 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
443951 | 3778 | 33 | None | -72 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
56 | 3778 | 33 | None | -72 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
CHEMBL73151 | 3778 | 33 | None | -72 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
DB13399 | 3778 | 33 | None | -72 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
65772 | 60401 | 8 | None | -2 | 6 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
CHEMBL174984 | 60401 | 8 | None | -2 | 6 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
173382 | 3716 | 0 | None | - | 1 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 333 | 8 | 4 | 6 | 2.0 | COc1cc(CCNCC(c2ccc(c(c2)O)O)O)ccc1OC | 8982677 | |||
533 | 3716 | 0 | None | - | 1 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 333 | 8 | 4 | 6 | 2.0 | COc1cc(CCNCC(c2ccc(c(c2)O)O)O)ccc1OC | 8982677 | |||
193122 | 1908 | 6 | None | 3 | 2 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
542 | 1908 | 6 | None | 3 | 2 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
CHEMBL142773 | 1908 | 6 | None | 3 | 2 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
10587912 | 2822 | 0 | None | 12 | 2 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 9 | 3 | 4 | 1.3 | OCCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
545 | 2822 | 0 | None | 12 | 2 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 9 | 3 | 4 | 1.3 | OCCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
146294 | 927 | 0 | None | 6 | 2 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | |||
552 | 927 | 0 | None | 6 | 2 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | |||
637 | 927 | 0 | None | 6 | 2 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | |||
CHEMBL2110772 | 927 | 0 | None | 6 | 2 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | |||
3123920 | 2824 | 85 | None | -2 | 6 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10079020 | |||
546 | 2824 | 85 | None | -2 | 6 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10079020 | |||
CHEMBL7154 | 2824 | 85 | None | -2 | 6 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10079020 |