| PubChem CID | SMILES | Binding energy(kCal/mol) | Ki (Kd) (M) | IC50 (EC50) (μM) | Links |
|---|---|---|---|---|---|
| 56324809 | CC(C(=O)NC1=CC=CC(=C1)C(=O)C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)Cl)Cl | -11.1 | 7.16E-9 | 7.16E-3 |
|
| 86952288 | CC(C)(CNC(=O)NCCC1=CC2=C(C=C1)OCC2)C3=CC=CC=C3 | -10.5 | 1.97E-8 | 1.97E-2 |
|
| 7935543 | C1CC2=C(C1)C=C(C=C2)OCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4 | -10.3 | 2.76E-8 | 2.76E-2 |
|
| 90725619 | C1=CC=C(C(=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl)F | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 100603104 | C1CCC2=C(C1)C=CC(=C2)OCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4 | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 101656498 | CC(CC1=CC=CC=C1)NCCCC=C(C2=CC=CC=C2)C3=CC=CC=C3 | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 17770136 | CC(C1=CC(=CC=C1)OC2=CC=CC=C2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4 | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 34121104 | C1COC2=CC=CC=C2[C@@H]1NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 9975511 | CC(CCC1=CC=CC=C1)NCCC=C(C2=CC=CC=C2)C3=CC=CC=C3 | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 71379948 | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Cl)C(=O)C(=O)C3=CC=C(C=C3)Cl | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 10316304 | CC(CCC1=CC=CC=C1)NCCCC(C2=CC=CC=C2)C3=CC=CC=C3 | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 132814560 | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4 | -10.0 | 4.59E-8 | 4.59E-2 |
|
| 14743330 | CC(CCC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=C(C=C3)F | -10.0 | 4.59E-8 | 4.59E-2 |
|
| 45739003 | CC(C1=CC(=CC=C1)Cl)NC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl | -10.0 | 4.59E-8 | 4.59E-2 |
|
| 7935606 | CC1=CC=C(C=C1)OCCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 | -10.0 | 4.59E-8 | 4.59E-2 |
|
| 84432575 | C1CCC2=C(C1)C=CC(=C2)OCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4 | -10.0 | 4.59E-8 | 4.59E-2 |
|
| 59728979 | CC(C1=CC=CC=C1)NC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 | -9.9 | 5.43E-8 | 5.43E-2 |
|
| 133229137 | CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C)C3=CC=CC=C3)Cl)C | -9.9 | 5.43E-8 | 5.43E-2 |
|
| 110174928 | CC(CCC1=CC=CC=C1)NCCCC(C2=CC=CC=C2)C3=CC=CC=N3 | -9.9 | 5.43E-8 | 5.43E-2 |
|
| 100553542 | C1CCC2=C(C1)C=CC(=C2)OCC(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4 | -9.9 | 5.43E-8 | 5.43E-2 |
|
| 113213555 | CC(C)(CNC(=O)NCCC1=CC=CC=C1)C2=CC=C(C=C2)OC | -9.9 | 5.43E-8 | 5.43E-2 |
|
| 43922211 | CC1=CC=CC=C1CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4 | -9.9 | 5.43E-8 | 5.43E-2 |
|
| 45838680 | C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CCC(=O)C3=CC=CC=C3 | -9.9 | 5.43E-8 | 5.43E-2 |
|
| 34713624 | C1COC2=CC=CC=C2[C@@H]1NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N | -9.9 | 5.43E-8 | 5.43E-2 |
|
| 38745808 | CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)C(=O)NC)C | -9.9 | 5.43E-8 | 5.43E-2 |
|
| 1561597 | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3C(F)(F)F | -9.9 | 5.43E-8 | 5.43E-2 |
|
| 46951959 | CC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4F | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 49360275 | CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)CN3CCCCC3=O | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 19170941 | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC4=CC=CC=C43 | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 32765324 | CC1=C(C=C(C=C1)OCC(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2)C | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 34884138 | CC1=CC=C(C=C1)NCCC2=CC=C(C=C2)NCC(C3=CC=CC=C3)C4=CC=CC=C4 | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 42998542 | CC(C1=CC(=CC=C1)Cl)NC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 84272760 | CC(C)(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 7935575 | CC1=CC=C(C=C1)OCCCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 113213662 | CC(C)(CNC(=O)NC1=CC=CC=C1N2CCOCC2)C3=CC=C(C=C3)OC | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 12343895 | CC(CCC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=C(C=C3)O | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 10020341 | CC(CC1=CC=CC=C1)NCCCC(C2=CC=CC=C2)C3=CC=CC=C3 | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 10451104 | CC(CCC1=CC=CC=C1)NCCOC(C2=CC=CC=C2)C3=CC=CC=C3 | -9.8 | 6.44E-8 | 6.44E-2 |
|
| 100172331 | C1CCC2=C(C1)C=CC=C2OCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4 | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 10384870 | CC(CCC1=CC=CC=C1)NCCSC(C2=CC=CC=C2)C3=CC=CC=C3 | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 113213584 | CC(C)(CNC(=O)NCCCC1=CC=CC=C1)C2=CC=C(C=C2)OC | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 132807713 | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)NNC3=C4C=CC=CC4=NC3=O | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 137922367 | C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCC3=CC=CC=C3C(=O)O | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 108966798 | CC1CCCN(C1)C(=O)C(C)(C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 36337325 | CC1=CC=C(C=C1)OCCC(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2 | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 39958813 | CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N[C@H]2CCOC3=CC=CC=C23 | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 46684527 | CC(C)C1=CC=C(C=C1)OCC(=O)NC2CCN(C2)CC3=CC=CC=C3 | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 17176513 | CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2CCN(CC2)CC3=CC=CC=C3 | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 18270187 | CCC1=CC(=CC=C1)OCC(=O)NCC(C)(C2=CC=CC=C2)C3=CC=CC=C3 | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 19980426 | CC1=C(C(C=C(N1)C(=O)OCCC2CC2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC | -9.7 | 7.62E-8 | 7.62E-2 |
|
| 1 st/rd/th, 1462 pages, 73073 entries | |||||