| PubChem CID | SMILES | Binding energy(kCal/mol) | Ki (Kd) (M) | IC50 (EC50) (μM) | Links |
|---|---|---|---|---|---|
| 118004297 | CC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=CC=CC=C3 | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 91364760 | C1=CC=C(C=C1)C2=C3C(=CC=C2)OC4=CC=CC=C4C3=O | -12.8 | 4.05E-10 | 4.05E-4 |
|
| 85543321 | C1CC2=C(C=C1)C(=O)N3C=CC4=CC=CC=C4C3C2 | -12.7 | 4.79E-10 | 4.79E-4 |
|
| 10540489 | C1=CC=C(C=C1)C(=O)NCOC2=CC3=CC=CC=C3C=C2 | -12.7 | 4.79E-10 | 4.79E-4 |
|
| 12581527 | C1=CC=C(C=C1)C(=O)NCCC2=CC3=CC=CC=C3C=C2 | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 54487932 | CC1=CC=C(C=C1)C(=O)CC2=CC3=CC=CC=C3C=C2 | -12.5 | 6.72E-10 | 6.72E-4 |
|
| 532510 | CC1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2 | -12.5 | 6.72E-10 | 6.72E-4 |
|
| 19426774 | C1=CC=C(C=C1)C(=O)C2=CC3=C4C=C4C=C3C=C2 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 35058739 | CC1=CC=C(C=C1)C(=O)NCCC2=CC3=CC=CC=C3C=C2 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 80704 | C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=C(C=C3)O | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 71120185 | C1C2C=CC1C3C2C4=C5C3=CC=C6C5=C(C=C4)C(=O)C6=O | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 88653269 | C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=C2)C(=O)N | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 101548803 | C1=CC=C(C=C1)C(=O)NNC=C2C=C3C=CC=CC3=CC2=O | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 102337272 | CC1=CC2=C(C=C1)C(=O)NN=C2CC3=CC=CC=C3 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 84452704 | CC1=C(C2=CC=CC=C2C=C1)C(=O)NC3CCCCCC3 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 69044584 | CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3C=C2)F | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 5093753 | C1CC2CN3C4=CC=CC=C4SC5=CC=CC(=C53)C2OC1 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 4655666 | C1CCC2=C(C1)C=CC(=C2)OCC(=O)NC3=CC=CC=C3F | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 23497794 | C1=CC=C2C=C(C=CC2=C1)C3=CC=CC=C3C(=O)N | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 21673767 | C1=CC=C(C=C1)C(=O)CC2=CC3=CC=CC=C3C=C2Cl | -12.1 | 1.32E-9 | 1.32E-3 |
|
| 4805489 | C1CC2=C(C1)C=C(C=C2)OCC(=O)NC3=CC=CC=C3F | -12.1 | 1.32E-9 | 1.32E-3 |
|
| 49780578 | CC1=C(C(=O)C2=CC=CC=C2N1)C3CCCCC3 | -12.1 | 1.32E-9 | 1.32E-3 |
|
| 2783700 | C1=CC=C(C=C1)C(=O)C(=O)C2=CC3=CC=CC=C3C=C2 | -12.1 | 1.32E-9 | 1.32E-3 |
|
| 11149625 | C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=CC2=O | -12.1 | 1.32E-9 | 1.32E-3 |
|
| 84432461 | C1CCC2=C(C1)C=CC(=C2)OCC(=O)NC3=CC=CC=C3 | -12.1 | 1.32E-9 | 1.32E-3 |
|
| 83379935 | C1=CC=C(C=C1)C(=O)CNC2=CC3=CC=CC=C3C=C2 | -12.0 | 1.56E-9 | 1.56E-3 |
|
| 65018781 | CC1=C(C2=CC=CC=C2N1)C(=O)C3CCCCCCC3 | -12.0 | 1.56E-9 | 1.56E-3 |
|
| 66734 | C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2 | -12.0 | 1.56E-9 | 1.56E-3 |
|
| 5083036 | C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2O | -12.0 | 1.56E-9 | 1.56E-3 |
|
| 54361116 | C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC4=CN3 | -12.0 | 1.56E-9 | 1.56E-3 |
|
| 12936105 | C1=CC=C(C=C1)C(=O)CC2=CC3=CC=CC=C3C=C2 | -12.0 | 1.56E-9 | 1.56E-3 |
|
| 130474204 | C1=CC=C(C=C1)C(=O)NCCC2=NC3=CC=CC=C3C=C2 | -12.0 | 1.56E-9 | 1.56E-3 |
|
| 11253667 | C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2O | -12.0 | 1.56E-9 | 1.56E-3 |
|
| 101162154 | C1COC(=O)[C@H]1NC(=O)CC(=O)CC2=CC=C(C=C2)C(F)(F)F | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 117803978 | C1=CC2=C3C(=C1)C4=C(C=C(C=C4)O)OC3=CC=C2 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 12908222 | CC1=CC=C(C=C1)C(=O)CC2=CC3=CC=CC=C3C=N2 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 85882810 | CC1=NC2=CC=CC=C2C(=CC3=CC=CC=C3)O1 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 71740428 | C1C2=CC=CC=C2C3=CC(=C(C=C3O1)O)C(=O)C4=CC=CC=C4 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 76601664 | C1CC2C3=CC=CC=C3C4=CC=CC(=C24)CC=C1 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 69516 | C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 925794 | CC1=CC=C(C=C1)C(=O)OCC2=CC3=CC=CC=C3C=C2 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 2611402 | C1CC2=C(C1)C=C(C=C2)OCC(=O)NC3=CC(=CC=C3)F | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 2611431 | C1CC2=C(C1)C=C(C=C2)OCC(=O)NC3=CC=CC=C3 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 14866848 | C1=CC=C(C=C1)C(=O)SC2=CC3=CC=CC=C3C=C2 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 14979650 | C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2N | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 19221137 | CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 19831369 | C1=CC=C(C=C1)C(=O)ONC2=CC3=CC=CC=C3C=C2 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 44220491 | C1=CC=C(C=C1)C(=O)CCC2=CC3=CC=CC=C3C=C2 | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 347818 | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=CC=CC=C32 | -11.8 | 2.19E-9 | 2.19E-3 |
|
| 48014583 | C1CCOC(C1)CNC(=O)CC2=CC=C(C=C2)C(F)(F)F | -11.8 | 2.19E-9 | 2.19E-3 |
|
| 1 st/rd/th, 1462 pages, 73073 entries | |||||