| PubChem CID | SMILES | Binding energy(kCal/mol) | Ki (Kd) (M) | IC50 (EC50) (μM) | Links |
|---|---|---|---|---|---|
| 20279703 | C1CCC2=CC3=CC4=CC=CC=C4CC3CC2C1 | -12.9 | 3.42E-10 | 3.42E-4 |
|
| 69516 | C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2 | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 19426774 | C1=CC=C(C=C1)C(=O)C2=CC3=C4C=C4C=C3C=C2 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 53968842 | C1=CC=C(C=C1)C(=O)NC(=O)C2=CC3=CC=CC=C3C=C2 | -12.1 | 1.32E-9 | 1.32E-3 |
|
| 12244494 | C1=CC=C(C=C1)C(=O)C2=CC3=CC4=CC=CC=C4C=C3C=C2 | -12.1 | 1.32E-9 | 1.32E-3 |
|
| 123527335 | CC1CC=C(C=CC=C1)C(=O)C2=CC3=CC=CC=C3C=C2 | -12.1 | 1.32E-9 | 1.32E-3 |
|
| 100964785 | C1=CC=C(C=C1)C(=O)C2=CC=C3C=CC4=C3C2=CC=C4 | -12.0 | 1.56E-9 | 1.56E-3 |
|
| 850837 | C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)C3=CC(=CC=C3)F | -11.9 | 1.85E-9 | 1.85E-3 |
|
| 12777809 | C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=N2 | -11.8 | 2.19E-9 | 2.19E-3 |
|
| 12936105 | C1=CC=C(C=C1)C(=O)CC2=CC3=CC=CC=C3C=C2 | -11.8 | 2.19E-9 | 2.19E-3 |
|
| 10945915 | C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC4=CC=CC=C4C=C3 | -11.7 | 2.60E-9 | 2.60E-3 |
|
| 101223559 | C1=CC=C2C=C(C=C2C=C1)C(=O)C3=CC4=CC=CC=CC4=C3 | -11.7 | 2.60E-9 | 2.60E-3 |
|
| 11974523 | CC1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2 | -11.6 | 3.07E-9 | 3.07E-3 |
|
| 263274 | C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC=CC=C3F | -11.6 | 3.07E-9 | 3.07E-3 |
|
| 2783700 | C1=CC=C(C=C1)C(=O)C(=O)C2=CC3=CC=CC=C3C=C2 | -11.6 | 3.07E-9 | 3.07E-3 |
|
| 19377213 | C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC=CC=N3 | -11.6 | 3.07E-9 | 3.07E-3 |
|
| 2098283 | C1=CC=C2C=C(C=CC2=C1)C(=O)NCC3=CC=CC=C3F | -11.6 | 3.07E-9 | 3.07E-3 |
|
| 85867418 | CC1CCCCC1C2=CC3=CC=CC=C3C=C2 | -11.6 | 3.07E-9 | 3.07E-3 |
|
| 66734 | C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2 | -11.5 | 3.64E-9 | 3.64E-3 |
|
| 68002052 | C1=CC=C(C=C1)C(=O)NC2C=CC3=CC=CC=C3O2 | -11.5 | 3.64E-9 | 3.64E-3 |
|
| 6847040 | C1=CC=C(C=C1)C(=O)C=C2C=CC3=CC=CC=C3N2 | -11.5 | 3.64E-9 | 3.64E-3 |
|
| 12472921 | CC1=CC(=O)OC2=C1C(=C(C=C2)C(=O)C3=CC=CC=C3)O | -11.5 | 3.64E-9 | 3.64E-3 |
|
| 13746852 | C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)N(O)O | -11.5 | 3.64E-9 | 3.64E-3 |
|
| 15476452 | CC1=CC=C(C=C1)C2C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O | -11.5 | 3.64E-9 | 3.64E-3 |
|
| 25054622 | C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)C3=CN=CC=C3 | -11.5 | 3.64E-9 | 3.64E-3 |
|
| 44574386 | CC1=CC2=C(C=C1)C(=O)N3CC4=CC=CC=C4C3=C2 | -11.4 | 4.31E-9 | 4.31E-3 |
|
| 61079544 | C1=CC=C2C=C(C=CC2=C1)C(=O)CC3=CC=CC=C3F | -11.4 | 4.31E-9 | 4.31E-3 |
|
| 114671456 | C1C(OC2=CC=CC=C2C1=O)C3=C(C=CC(=C3)F)F | -11.4 | 4.31E-9 | 4.31E-3 |
|
| 129671212 | C1=CC=C(C=C1)C(=O)N=C2C=CC3=CC=CC=C3C2=O | -11.3 | 5.10E-9 | 5.10E-3 |
|
| 47161333 | C1=CC=C(C=C1)C(=O)NCC2=CC3=CC=CC=C3C=C2 | -11.3 | 5.10E-9 | 5.10E-3 |
|
| 53886285 | C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CN4 | -11.3 | 5.10E-9 | 5.10E-3 |
|
| 299019 | C1=CC=C(C=C1)C(=O)C2=CC=CC3=C2C=CC=C3Br | -11.3 | 5.10E-9 | 5.10E-3 |
|
| 15885954 | C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)Cl | -11.3 | 5.10E-9 | 5.10E-3 |
|
| 85783057 | CC1=CC2=CC3=C(C=C2C=C1)C(=O)C4=CC=CC=C43 | -11.3 | 5.10E-9 | 5.10E-3 |
|
| 883672 | C1=CC=C2C=C(C=CC2=C1)C(=O)NCC3=CC=CC=C3Cl | -11.3 | 5.10E-9 | 5.10E-3 |
|
| 925796 | C1=CC=C(C=C1)C(=O)OCC2=CC3=CC=CC=C3C=C2 | -11.3 | 5.10E-9 | 5.10E-3 |
|
| 7900808 | C1=CC=C2C=C(C=CC2=C1)C(=O)OC3=CC=CC=C3F | -11.3 | 5.10E-9 | 5.10E-3 |
|
| 69242576 | C1=CC=C(C=C1)C(=O)OC2C=CC3=CC=CC=C23 | -11.3 | 5.10E-9 | 5.10E-3 |
|
| 89790 | CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 | -11.2 | 6.04E-9 | 6.04E-3 |
|
| 127257438 | CC(C)(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)Cl | -11.2 | 6.04E-9 | 6.04E-3 |
|
| 101630693 | C1CC2=C(C=CC3=C2C=CC4=C3CCC=C4)C(=O)C1 | -11.2 | 6.04E-9 | 6.04E-3 |
|
| 102387660 | C1=CC=C(C=C1)C(=O)CC2=CC3=CC=CC=C3C=N2 | -11.2 | 6.04E-9 | 6.04E-3 |
|
| 13160838 | C1=CC=C(C=C1)C(=O)C(=O)NC2=CC3=CC=CC=C3C=C2 | -11.2 | 6.04E-9 | 6.04E-3 |
|
| 13593180 | CCC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 | -11.2 | 6.04E-9 | 6.04E-3 |
|
| 49780578 | CC1=C(C(=O)C2=CC=CC=C2N1)C3CCCCC3 | -11.2 | 6.04E-9 | 6.04E-3 |
|
| 47023854 | C1COC2=C1C=C(C=C2)C(=O)NCC3=CC=CC=C3 | -11.1 | 7.16E-9 | 7.16E-3 |
|
| 15327736 | C1=CC=C2C=C(C=CC2=C1)C(=O)C3C=CC=C3 | -11.1 | 7.16E-9 | 7.16E-3 |
|
| 15789241 | C1=CC=C(C=C1)C2C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O | -11.1 | 7.16E-9 | 7.16E-3 |
|
| 20459661 | C1=CC=C(C=C1)C(=O)C2=CC=CC3=C2C=CC=C3O | -11.1 | 7.16E-9 | 7.16E-3 |
|
| 21450002 | C=CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C=C2 | -11.1 | 7.16E-9 | 7.16E-3 |
|
| 1 st/rd/th, 1462 pages, 73073 entries | |||||