| PubChem CID | SMILES | Binding energy(kCal/mol) | Ki (Kd) (M) | IC50 (EC50) (μM) | Links |
|---|---|---|---|---|---|
| 131400990 | CC1=CC(=CC=C1)C2=CN=C(C=N2)C(=O)O | -9.6 | 9.02E-8 | 9.02E-2 |
|
| 14146662 | C1=CC=C(C=C1)C2=CN=C3C(=N2)C(=O)OC3=O | -9.4 | 1.27E-7 | 1.27E-1 |
|
| 13317179 | C1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O | -9.1 | 2.10E-7 | 2.10E-1 |
|
| 50998547 | CC1=CC(=CC=C1)C2=CN=C(C=C2)C(=O)O | -9.1 | 2.10E-7 | 2.10E-1 |
|
| 84623461 | CC(C)C1=CC2=C(C=C1)OC(=C2O)C(=O)O | -9.1 | 2.10E-7 | 2.10E-1 |
|
| 822960 | CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)O | -9.0 | 2.49E-7 | 2.49E-1 |
|
| 129990295 | C1=CC=C(C=C1)C2=CN=C(N=N2)C(=O)O | -9.0 | 2.49E-7 | 2.49E-1 |
|
| 85119391 | C1=CC=C2C=C(C=CC2=C1)CC3C(=O)NNN3 | -8.8 | 3.49E-7 | 3.49E-1 |
|
| 84620639 | CCC1=CC2=C(C=C1)OC(=C2O)C(=O)O | -8.7 | 4.13E-7 | 4.13E-1 |
|
| 12846708 | COC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)O | -8.7 | 4.13E-7 | 4.13E-1 |
|
| 54058404 | C1=CC=C(C=C1)C2C3=C2C(=C(C=C3)O)O | -8.7 | 4.13E-7 | 4.13E-1 |
|
| 82288512 | CC(C)CC1=CC=C(C=C1)S(=O)(=O)NO | -8.5 | 5.79E-7 | 5.79E-1 |
|
| 89553955 | COC1=C(C=CC(=N1)C2=CC=CO2)C(=O)O | -8.5 | 5.79E-7 | 5.79E-1 |
|
| 132588515 | COC1=CC=CC(=C1)C2=CN=C(C(=N2)C(=O)O)C(=O)O | -8.5 | 5.79E-7 | 5.79E-1 |
|
| 52983910 | COC1=CC=CC(=C1)C2=CN=C(C=C2)C(=O)O | -8.4 | 6.85E-7 | 6.85E-1 |
|
| 28390091 | CC1=CC(=C(C=C1)O)C(=O)N[C@H]2CCOC2=O | -8.4 | 6.85E-7 | 6.85E-1 |
|
| 89392258 | C1C2C1C2C3=CC=C(C=C3)S(=O)(=O)O | -8.4 | 6.85E-7 | 6.85E-1 |
|
| 84023554 | CC1=CC2=C(C=C1)OC(=C2O)C(=O)O | -8.4 | 6.85E-7 | 6.85E-1 |
|
| 66490829 | CC1=C(C=CC(=N1)C2=CN=CC=C2)C(=O)O | -8.4 | 6.85E-7 | 6.85E-1 |
|
| 66204926 | C1=CC=C2C=C(C=CC2=C1)C(C(C(=O)O)N)O | -8.3 | 8.12E-7 | 8.12E-1 |
|
| 66289009 | CC(C)C1=CC=C(C=C1)C(C)C(C(=O)O)O | -8.3 | 8.12E-7 | 8.12E-1 |
|
| 68161083 | CC1=CC(=CC=C1)C2=CN=C(C(=N2)C(=O)O)N | -8.3 | 8.12E-7 | 8.12E-1 |
|
| 132588542 | CCOC1=CC=CC(=C1)C2=CN=C(C(=N2)C(=O)O)C(=O)O | -8.3 | 8.12E-7 | 8.12E-1 |
|
| 116848700 | C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NN)N | -8.3 | 8.12E-7 | 8.12E-1 |
|
| 112562030 | CC1=C(C=CC(=N1)C2=NC=CN=C2)C(=O)O | -8.3 | 8.12E-7 | 8.12E-1 |
|
| 53426335 | COC1=CC=CC(=N1)C2=CC=C(C=C2)C(=O)O | -8.3 | 8.12E-7 | 8.12E-1 |
|
| 4505859 | CC(C)CC1=CC=C(C=C1)S(=O)(=O)NN | -8.3 | 8.12E-7 | 8.12E-1 |
|
| 4116612 | C1C=CC=C1C2=CC=C(C=C2)C(=O)O | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 53223262 | CCOC1=CC=CC(=C1)C2=CN=C(C=C2)C(=O)O | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 53398471 | C1=CC=C2C=C(C=CC2=C1)C(C(C(=O)O)O)N | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 60084971 | CC(C)(C)C1=CC=C(C=C1)C2=NOC(=O)N2OC | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 17922084 | C1=CC=C(C=C1)OC2=CC=CC(=C2C=O)C(=O)O | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 70288046 | C1=CC=C(C=C1)OC(=O)C2=CC(=O)NC2=O | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 82129570 | CC(C)C1=CC=C(C=C1)CC(C)(C(=O)O)NN | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 82284691 | CCCC1=CC=C(C=C1)S(=O)(=O)NO | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 83447945 | C1=CC(=CC(=C1)C2=CC(=C(O2)N)C#N)C#N | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 83701010 | CC(C)C1=CC=C(C=C1)CC(=O)C(=O)C | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 83716017 | CC(C)C1=CC=C(C=C1)CC(C)(C(=O)O)NC | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 95447969 | CCCCC1=CC=C(C=C1)S(=O)(=O)NO | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 112619531 | C1=CC(=CC(=C1)OC(F)F)C2=NN=C(O2)C(=O)O | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 101354773 | C1=CC=C2C=C(C=CC2=C1)C(C(=O)O)(C(=O)O)N | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 116920580 | C1=CC=C2C=C(C=CC2=C1)C(=O)C(C(=O)O)N | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 129735900 | C=CC1=CC=C(C=C1)C(=O)S(=O)(=O)O | -8.2 | 9.61E-7 | 9.61E-1 |
|
| 129666199 | C1=CC(C=C1)C2=CC=C(C=C2)S(=O)(=O)O | -8.1 | 1.14E-6 | 1.14E0 |
|
| 103131513 | CN1C=CC(=N1)C2=CN=C(C=C2)C(=O)O | -8.1 | 1.14E-6 | 1.14E0 |
|
| 13755051 | C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(=O)O | -8.1 | 1.14E-6 | 1.14E0 |
|
| 18348287 | C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OO | -8.1 | 1.14E-6 | 1.14E0 |
|
| 20820048 | CC1=CC(=CC=C1)C2=CC=C(C=C2)C(=O)N | -8.1 | 1.14E-6 | 1.14E0 |
|
| 21513962 | CC1=CC=C(C=C1)N(C=O)S(=O)(=O)O | -8.1 | 1.14E-6 | 1.14E0 |
|
| 22436733 | C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)ON | -8.1 | 1.14E-6 | 1.14E0 |
|
| 1 st/rd/th, 1462 pages, 73073 entries | |||||