KG-1a
Target ID: CHEMBL4296453
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| LAPATINIB | CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 | IC50: 10.0 nM |  |
| DOVITINIB | CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 | IC50: 65.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [4*]CCS(C)(=O)=O | 8.0 | 39 |  |
| [5*]N[5*] | 8.0 | 39 |  |
| c1ccc(COc2ccc(Nc3ncnc4ccc(-c5ccco5)cc34)cc2)cc1 | 8.0 | 39 |  |
| [14*]c1ccc([14*])o1 | 8.0 | 39 |  |
| [16*]c1ccc([16*])c(Cl)c1 | 8.0 | 39 |  |