| PubChem CID | SMILES | Binding energy(kCal/mol) | Ki (Kd) (M) | IC50 (EC50) (μM) | Links |
|---|---|---|---|---|---|
| 85042024 | CC(C)(C1NNNN1)C2=CC=C(C=C2)C(CCCN3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)O | -10.9 | 1.00E-8 | 1.00E-2 |
|
| 13782492 | C1=CC=C2C(=C1)C3=C(C=C(C=C3)C(=O)O)C4=C2C(=O)OC4=O | -10.9 | 1.00E-8 | 1.00E-2 |
|
| 85971512 | C1CCC(=C2CC3=CC=CC=C3C4=CC=CC=C24)CC1 | -10.8 | 1.19E-8 | 1.19E-2 |
|
| 90303585 | C1C=CC=C2C1=C3C=CC4=C(C=CC4=C3C=C2)C(=O)N | -10.7 | 1.41E-8 | 1.41E-2 |
|
| 3014880 | C1=CC=C2C=C3C=C(C=CC3=CC2=C1)S(=O)(=O)O | -10.7 | 1.41E-8 | 1.41E-2 |
|
| 15498259 | C1CCCC(=C2C3=CC=CC=C3C4=CC=CC=C42)CC1 | -10.6 | 1.67E-8 | 1.67E-2 |
|
| 118453494 | C=C(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)N | -10.6 | 1.67E-8 | 1.67E-2 |
|
| 102359375 | C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C4=CC5=CC=CC=C5C=C42 | -10.6 | 1.67E-8 | 1.67E-2 |
|
| 85931661 | C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C(=O)C5=C(C=C(C=C5O4)O)O | -10.6 | 1.67E-8 | 1.67E-2 |
|
| 85950548 | C1CCC(=C2C3=CC=CC=C3C4=CC=CC=C42)CC1 | -10.6 | 1.67E-8 | 1.67E-2 |
|
| 69923256 | CN1CCC(=C2C3=CC=CC=C3NC4=CC=CC=C42)CC1 | -10.6 | 1.67E-8 | 1.67E-2 |
|
| 90303426 | C1C=CC=C2C1=C3C=CC4=C(C=CC4=C3C=C2)C(=O)O | -10.5 | 1.97E-8 | 1.97E-2 |
|
| 24403442 | CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=C(C(=CC=C3)Cl)Cl | -10.5 | 1.97E-8 | 1.97E-2 |
|
| 13004655 | CC1=C(C=CC2=C1C3=CC=CC=C3C=C2)S(=O)(=O)O | -10.5 | 1.97E-8 | 1.97E-2 |
|
| 13004631 | CC1=CC2=CC=CC=C2C3=C1C=C(C=C3)S(=O)(=O)O | -10.4 | 2.33E-8 | 2.33E-2 |
|
| 10039173 | CN1CCC(=C2C3=CC=CC=C3OC4=CC=CC=C42)CC1 | -10.4 | 2.33E-8 | 2.33E-2 |
|
| 71356637 | C1=CC=C(C=C1)C(=O)NC2=C3C=CC=CC3=CC4=CC=CC=C42 | -10.4 | 2.33E-8 | 2.33E-2 |
|
| 87434223 | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=C(C=C4)C(=O)N | -10.4 | 2.33E-8 | 2.33E-2 |
|
| 14903527 | C1=CC2=C3C(=C1)C4=CC=C(C=CC4=C(C3=CC=C2)O)O | -10.4 | 2.33E-8 | 2.33E-2 |
|
| 20090414 | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)NC3=CC=CC4=C3C=C(C=C4)O | -10.4 | 2.33E-8 | 2.33E-2 |
|
| 23568397 | CC1CC2C3CCCC3CCC2C4=CC=CC=C14 | -10.3 | 2.76E-8 | 2.76E-2 |
|
| 31969067 | C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F | -10.3 | 2.76E-8 | 2.76E-2 |
|
| 33284527 | CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)Cl)C | -10.3 | 2.76E-8 | 2.76E-2 |
|
| 53866554 | C1=CC=C(C=C1)C(=O)NC2=CC=CC3=CC4=CC=CC=C4C=C32 | -10.3 | 2.76E-8 | 2.76E-2 |
|
| 118329133 | CC(C)(C)C1=CC=C(C=C1)CCCC2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O | -10.3 | 2.76E-8 | 2.76E-2 |
|
| 12454798 | C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)Cl)SSC3=CC=CC=C3NC(=O)C4=CC(=CC=C4)Cl | -10.3 | 2.76E-8 | 2.76E-2 |
|
| 85783057 | CC1=CC2=CC3=C(C=C2C=C1)C(=O)C4=CC=CC=C43 | -10.3 | 2.76E-8 | 2.76E-2 |
|
| 76329296 | C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)Cl | -10.3 | 2.76E-8 | 2.76E-2 |
|
| 57773213 | C1CCC2C3=CC=CC=C3C4=CC=CC(=C24)CC1 | -10.3 | 2.76E-8 | 2.76E-2 |
|
| 66864737 | C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC=C3)C(=O)N | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 83548985 | CC1=CC=C(C=C1)C2=CC(=CC=C2)C(C)(C)C(=O)O | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 138505462 | CC(=O)NC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 14106860 | C=CC1=CC2=C(C=C1)C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 15388826 | CC1=CC=C(C=C1)C2=CC3=C(C(=C(C=C3)O)O)OC2=O | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 31968534 | C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC(=C3)C(=O)N | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 4263846 | C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=NC=C3 | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 118329130 | CC(C)C(C)(C)C1=CC=C(C=C1)C(CCCC2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 10468648 | CN1CCC(=C2C3=CC=CC=C3CC4=CC=CC=C42)CC1 | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 1009221 | CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)NC(=O)C3=CC(=CC=C3)Cl | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 102179114 | C1=CC=C2C(=C1)C3=C(O2)C4=C(C(=C(C=C4)O)O)OC3=O | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 13113219 | C1C2=C(C=C3C=CC4=CC=CC=C4C3=C2)C(=O)O1 | -10.2 | 3.27E-8 | 3.27E-2 |
|
| 12660122 | C1C2=CC=CC3=C2C4=C1C=C(C=C4C=C3)S(=O)(=O)O | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 127031193 | C1=CC(=C2C(=C1)OC3=CC=CC(=C3C2=O)O)C4=CC(=C(C=C4)O)O | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 127031802 | C1=CC=C2C(=C1)C(=O)C3=C(C=CC=C3O2)C4=CC(=C(C=C4)O)O | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 124325098 | C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)N | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 132873776 | CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)Cl)NC(=O)CC4=CC=C(C=C4)Cl | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 90303463 | C1C=CC2=C1C3=C(C=C2)C4=CC=CC=C4C=C3C(=O)N | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 91364760 | C1=CC=C(C=C1)C2=C3C(=CC=C2)OC4=CC=CC=C4C3=O | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 56697440 | C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=C(C=C3)F | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 23151730 | C1CC12C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)O | -10.1 | 3.88E-8 | 3.88E-2 |
|
| 1 st/rd/th, 1462 pages, 73073 entries | |||||