| PubChem CID | SMILES | Binding energy(kCal/mol) | Ki (Kd) (M) | IC50 (EC50) (μM) | Links |
|---|---|---|---|---|---|
| 101018536 | C1=CC=C(C=C1)C(=O)NC2=CC3=CC4=CC=CC=C4C=C3C=C2 | -14.4 | 2.71E-11 | 2.71E-5 |
|
| 85965724 | C1=CC=C(C=C1)C(=O)NC(=O)NC2=CC3=CC=CC=C3C=C2 | -14.0 | 5.33E-11 | 5.33E-5 |
|
| 90725619 | C1=CC=C(C(=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl)F | -13.9 | 6.31E-11 | 6.31E-5 |
|
| 43972308 | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)C(F)(F)F | -13.9 | 6.31E-11 | 6.31E-5 |
|
| 22613483 | C1=CC=C2C=C(C=CC2=C1)C(=O)NNC3=CC4=CC=CC=C4C=C3 | -13.9 | 6.31E-11 | 6.31E-5 |
|
| 12244494 | C1=CC=C(C=C1)C(=O)C2=CC3=CC4=CC=CC=C4C=C3C=C2 | -13.9 | 6.31E-11 | 6.31E-5 |
|
| 99446022 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)F | -13.8 | 7.47E-11 | 7.47E-5 |
|
| 9540184 | C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl | -13.7 | 8.84E-11 | 8.84E-5 |
|
| 53968842 | C1=CC=C(C=C1)C(=O)NC(=O)C2=CC3=CC=CC=C3C=C2 | -13.7 | 8.84E-11 | 8.84E-5 |
|
| 10108150 | C1=CC=C2C=C(C=CC2=C1)C3=CC4=C(C=C(C=C4)O)OC3=O | -13.7 | 8.84E-11 | 8.84E-5 |
|
| 23460607 | C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC4=CC=CC=C4C=C3O | -13.6 | 1.05E-10 | 1.05E-4 |
|
| 224151 | C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC4=CC=CC=C4C=C3 | -13.6 | 1.05E-10 | 1.05E-4 |
|
| 17681182 | CC1=C(C=CC(=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4=CC=CC=C4 | -13.6 | 1.05E-10 | 1.05E-4 |
|
| 19645147 | CC(C(=O)C1=CC(=CC=C1)Cl)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 | -13.6 | 1.05E-10 | 1.05E-4 |
|
| 52838093 | C1=CC=NC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)Cl)F | -13.6 | 1.05E-10 | 1.05E-4 |
|
| 52211706 | C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Br)O | -13.5 | 1.24E-10 | 1.24E-4 |
|
| 52644749 | C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Br | -13.5 | 1.24E-10 | 1.24E-4 |
|
| 22613554 | C1=CC=C2C=C(C=CC2=C1)C(=O)NNC3=CC=CC4=CC=CC=C43 | -13.5 | 1.24E-10 | 1.24E-4 |
|
| 41520062 | C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)CCC(=O)NC3=CC(=CC(=C3)F)F | -13.5 | 1.24E-10 | 1.24E-4 |
|
| 4655261 | C1CS(=O)(=O)CC1NC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 | -13.5 | 1.24E-10 | 1.24E-4 |
|
| 46811579 | C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NC4=CC=CC=C4C=C3 | -13.5 | 1.24E-10 | 1.24E-4 |
|
| 71508679 | C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)Cl)O | -13.5 | 1.24E-10 | 1.24E-4 |
|
| 101548803 | C1=CC=C(C=C1)C(=O)NNC=C2C=C3C=CC=CC3=CC2=O | -13.5 | 1.24E-10 | 1.24E-4 |
|
| 99463287 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl | -13.4 | 1.47E-10 | 1.47E-4 |
|
| 99463343 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(O3)Cl | -13.4 | 1.47E-10 | 1.47E-4 |
|
| 99463290 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=C(C=CC(=C3)Cl)Cl | -13.3 | 1.74E-10 | 1.74E-4 |
|
| 24314936 | C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC(=O)C4=CC=CC=C4N3 | -13.3 | 1.74E-10 | 1.74E-4 |
|
| 14992079 | CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)OCC4=CC=CC=C4 | -13.3 | 1.74E-10 | 1.74E-4 |
|
| 43972036 | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(O2)C3=C(C=C(C=C3)F)F | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 4531090 | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 39885876 | C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)NC4=CC=CC=C4 | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 16588047 | C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)CCC(=O)NC3=CC(=CC=C3)F | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 17558872 | C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)CCC(=O)NC3=C(C=C(C=C3)F)F | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 99488641 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=CC(=C3)Br)F | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 9517337 | C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=NC=CC(=C3)Cl | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 124325082 | C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)N | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 10945915 | C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC4=CC=CC=C4C=C3 | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 132280185 | C1=CC(=CC(=C1)Cl)NC(=O)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC=CN4 | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 1124128 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)Br | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 132278986 | C1=CC(=CC(=C1)Cl)NC(=O)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC=CO4 | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 110392358 | C1=CC=C(C(=C1)C2=NN=C(O2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)F | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 16588040 | C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)CCC(=O)NC3=CC=C(C=C3)F | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 26164627 | CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 3671782 | C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5 | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 3905999 | C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)OC3=CC4=CC=CC=C4C=C3 | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 4464310 | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)F | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 85820237 | C1CC=CC(C1)OC(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3 | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 60433499 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CC=C3I | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 8022892 | CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC(=C3)C | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 56698728 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=NC=C3 | -13.0 | 2.89E-10 | 2.89E-4 |
|
| 1 st/rd/th, 1462 pages, 73073 entries | |||||