Target ID: CHEMBL2095189
Organism: Homo sapiens
Type: PROTEIN COMPLEX
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| CANERTINIB DIHYDROCHLORIDE | C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1.Cl.Cl | IC50: 1.5 nM | ![]() |
| SUNITINIB | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | IC50: 80.0 nM | ![]() |
| IMATINIB | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | IC50: 40.0 nM | ![]() |
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 7.77 | 117 | ![]() |
| [1*]C([6*])=O | 7.25 | 78 | ![]() |
| c1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1 | 8.82 | 39 | ![]() |
| [14*]c1ncnc2cc([16*])c([16*])cc12 | 8.82 | 39 | ![]() |
| [3*]O[3*] | 8.82 | 39 | ![]() |