NCI-H157
Target ID: CHEMBL614783
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| EDARAVONE | CC1=NN(c2ccccc2)C(=O)C1 | PC50: 70.4 uM |  |
| QUERCETIN | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | IC50: 32870.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| O=c1cc(-c2ccccc2)oc2ccccc12 | 4.48 | 39 |  |
| [14*]c1oc2cc(O)cc(O)c2c(=O)c1O | 4.48 | 39 |  |
| [16*]c1ccc(O)c(O)c1 | 4.48 | 39 |  |
| [10*]N1N=C(C)CC1=O | None | 20 |  |
| O=C1CC=NN1c1ccccc1 | None | 20 |  |