| PubChem CID | SMILES | Binding energy(kCal/mol) | Ki (Kd) (M) | IC50 (EC50) (μM) | Links |
|---|---|---|---|---|---|
| 3424041 | CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3 | -13.5 | 1.24E-10 | 1.24E-4 |
|
| 138757107 | C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=CC4=CC=CC=C4C=C3 | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 9095798 | CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)F | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 78427567 | C1[C@@H]([C@H](OC2=CC=CC=C21)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)O)O)O | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 76012584 | CC1=CC(=CC(=C1)Cl)NC(=O)C(=CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 3455018 | C1=CC=C(C=C1)CC2=CC3=CC=CC=C3C2NC(=O)C4=CC=CC=C4 | -13.0 | 2.89E-10 | 2.89E-4 |
|
| 24130869 | CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3 | -13.0 | 2.89E-10 | 2.89E-4 |
|
| 53866554 | C1=CC=C(C=C1)C(=O)NC2=CC=CC3=CC4=CC=CC=C4C=C32 | -13.0 | 2.89E-10 | 2.89E-4 |
|
| 1181192 | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC(=CC=C3)Cl | -12.9 | 3.42E-10 | 3.42E-4 |
|
| 102359375 | C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C4=CC5=CC=CC=C5C=C42 | -12.8 | 4.05E-10 | 4.05E-4 |
|
| 95917988 | C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CN=CC=C3)OC4=CC=C(C=C4)C(=O)O | -12.7 | 4.79E-10 | 4.79E-4 |
|
| 76012661 | CC1=CC(=CC(=C1)Cl)NC(=O)C(=CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3 | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 52703528 | C1=CC=C(C(=C1)NCC(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3=CC=C(C=C3)Cl | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 3544519 | CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3)Br | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 3943739 | C1=CC(=CC(=C1)Cl)NC(=O)C(C2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)Cl | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 25022828 | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)C(F)S(=O)(=O)C3=CC=CC=C3 | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 100637435 | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3F | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 12252759 | C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2=C4C=CC=C4 | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 1091311 | CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3 | -12.5 | 6.72E-10 | 6.72E-4 |
|
| 71401618 | CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C=CC3=CC=CC=C3 | -12.5 | 6.72E-10 | 6.72E-4 |
|
| 54764513 | C1[C@H]([C@@H](OC2=CC=CC=C21)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)O)O)O | -12.5 | 6.72E-10 | 6.72E-4 |
|
| 42998542 | CC(C1=CC(=CC=C1)Cl)NC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 | -12.5 | 6.72E-10 | 6.72E-4 |
|
| 31970080 | C1=CC=C(C(=C1)NC(=O)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)Cl | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 22613483 | C1=CC=C2C=C(C=CC2=C1)C(=O)NNC3=CC4=CC=CC=C4C=C3 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 4489768 | C1=CC=C(C(=C1)C(NC(=O)C2=CC(=CC=C2)Cl)NC(=O)C3=CC(=CC=C3)Cl)F | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 46811579 | C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NC4=CC=CC=C4C=C3 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 12581527 | C1=CC=C(C=C1)C(=O)NCCC2=CC3=CC=CC=C3C=C2 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 100633810 | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3Cl | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 12770692 | C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2NC(=O)C3=CC=CC=C3 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 60354349 | CC1=C(C=CC(=C1)Cl)NC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 8438270 | CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CC3=CC=CC=C3 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 56627007 | C1=CC=C(C=C1)C2=CC(=C(C=C2)O)OC3=CC4=CC=CC=C4C=C3 | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 91034763 | C1C=CCC(=C1)C(=O)CC(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 2393834 | C1=CC=C(C=C1)C(NC(=O)C2=CC(=CC=C2)Cl)NC(=O)C3=CC(=CC=C3)Cl | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 2859725 | C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 102160883 | C1C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)O)CC4=CC=CC=C4 | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 101223559 | C1=CC=C2C=C(C=C2C=C1)C(=O)C3=CC4=CC=CC=CC4=C3 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 12717723 | C1=CC=C2C=C(C=CC2=C1)C(=O)N3C4=CC=CC=C4C5=CC=CC=C53 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 114671443 | C1C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)F)F | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 57321033 | CC(=O)NC1=CC(C2CCC=CC2=C1)C3=CC=C(C=C3)F | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 588604 | C1=CC=C(C=C1)CC(=O)NC2=CC3=CC=CC=C3C=C2 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 69455240 | C1CCC(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=NC=C3 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 70031276 | C1=CC=C(C=C1)CCC(C2=CC=CC=C2)NCC3=CC=CC=C3 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 74641777 | CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC(=C3)C | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 7545913 | C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CNC(=O)C=C3 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 75578734 | CC(C=CCCC1=CC=CC=C1)C(C2=CC=CC=C2)NCC3=CC=CC=C3 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 85188614 | CC(C1=CC=CC=C1)NC(CCC2=CC=CC=C2)C3=CC=CC=C3O | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 85510730 | C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC4=CC=CC=C4O)C(=O)O3 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 45739003 | CC(C1=CC(=CC=C1)Cl)NC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 4661603 | C1=CC(=CC(=C1)O)C=C2C=C(OC2=O)C3=CC=C(C=C3)F | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 1 st/rd/th, 1462 pages, 73073 entries | |||||