| PubChem CID | SMILES | Binding energy(kCal/mol) | Ki (Kd) (M) | IC50 (EC50) (μM) | Links |
|---|---|---|---|---|---|
| 109057410 | C1=CC=C(C(=C1)NC(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl)F | -13.3 | 1.74E-10 | 1.74E-4 |
|
| 4615640 | CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 | -13.2 | 2.06E-10 | 2.06E-4 |
|
| 22613483 | C1=CC=C2C=C(C=CC2=C1)C(=O)NNC3=CC4=CC=CC=C4C=C3 | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 52838093 | C1=CC=NC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)Cl)F | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 26164527 | CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 9540184 | C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl | -13.1 | 2.44E-10 | 2.44E-4 |
|
| 71508679 | C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)Cl)O | -13.0 | 2.89E-10 | 2.89E-4 |
|
| 43972036 | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(O2)C3=C(C=C(C=C3)F)F | -13.0 | 2.89E-10 | 2.89E-4 |
|
| 4464310 | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)F | -12.9 | 3.42E-10 | 3.42E-4 |
|
| 24128102 | C1=CC(=CC(=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)F | -12.9 | 3.42E-10 | 3.42E-4 |
|
| 24314936 | C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC(=O)C4=CC=CC=C4N3 | -12.9 | 3.42E-10 | 3.42E-4 |
|
| 38706532 | CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F | -12.9 | 3.42E-10 | 3.42E-4 |
|
| 3905999 | C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)OC3=CC4=CC=CC=C4C=C3 | -12.9 | 3.42E-10 | 3.42E-4 |
|
| 1087457 | C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl)F | -12.9 | 3.42E-10 | 3.42E-4 |
|
| 90725619 | C1=CC=C(C(=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl)F | -12.9 | 3.42E-10 | 3.42E-4 |
|
| 46574056 | C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)NC3=CC=CC(=C3)C4=NN=CO4 | -12.8 | 4.05E-10 | 4.05E-4 |
|
| 109057495 | C1=CC=C(C(=C1)NC(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl)Cl | -12.8 | 4.05E-10 | 4.05E-4 |
|
| 124325082 | C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)N | -12.8 | 4.05E-10 | 4.05E-4 |
|
| 1309136 | COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 | -12.8 | 4.05E-10 | 4.05E-4 |
|
| 110392358 | C1=CC=C(C(=C1)C2=NN=C(O2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)F | -12.7 | 4.79E-10 | 4.79E-4 |
|
| 52644749 | C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Br | -12.7 | 4.79E-10 | 4.79E-4 |
|
| 52211706 | C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Br)O | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 48525257 | COC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 8022892 | CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC(=C3)C | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 99446022 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)F | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 99446026 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CC3=CC=CC=C3F | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 60433133 | C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)F | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 124345231 | CC1=C(C=C(C=C1)C(=O)N(C)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 | -12.6 | 5.67E-10 | 5.67E-4 |
|
| 1207998 | C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC4=CC=CC=C43 | -12.5 | 6.72E-10 | 6.72E-4 |
|
| 46488044 | C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Br)Cl | -12.5 | 6.72E-10 | 6.72E-4 |
|
| 46323249 | COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)NC(=O)C3=CC=CC=C3 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 3891632 | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)Cl)Cl | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 13851847 | C1=CC=C(C=C1)C(=O)NC2=NC(=NC=C2)OC(=O)C3=CC=CC=C3 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 21234083 | C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=CC4=CC=CC=C4C=C3 | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 125555384 | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)Cl)C | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 100354788 | CC1=C(C=C(C=C1)C(=O)N(C)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 105534184 | C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)I | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 1079683 | C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)Cl)NC(=O)C3=CC=C(C=C3)F | -12.4 | 7.96E-10 | 7.96E-4 |
|
| 124325083 | CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)N | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 43877797 | CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 43976897 | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 46486698 | CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3I | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 26685942 | C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)NC3=CC4=CC=CC=C4C=C3 | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 50852998 | C1=CC(=CN=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)F | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 3436947 | CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)C | -12.3 | 9.42E-10 | 9.42E-4 |
|
| 35339018 | CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@@H]3CCOC4=CC=CC=C34 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 44898431 | C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)Cl)Cl | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 17231949 | CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC3=CC=CC=C3C=C2 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 19645147 | CC(C(=O)C1=CC(=CC=C1)Cl)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 26164627 | CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl | -12.2 | 1.12E-9 | 1.12E-3 |
|
| 1 st/rd/th, 1462 pages, 73073 entries | |||||