VCaP
Target ID: CHEMBL4296508
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| INDISULAM | NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 | Ki: 30.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| O=S(=O)(Nc1cccc2cc[nH]c12)c1ccccc1 | 7.52 | 32 |  |
| [16*]c1cccc2c(Cl)c[nH]c12 | 7.52 | 32 |  |
| [5*]N[5*] | 7.52 | 32 |  |
| [12*]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 | 7.52 | 32 |  |