SEM
Target ID: CHEMBL4296493
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| GENISTEIN | O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 | IC50: 1000.0 nM |  |
| ALVOCIDIB | CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 | IC50: 330.0 nM |  |
| BAICALEIN | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | Inhibition: 57.0 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [16*]c1ccc(O)cc1 | 6.0 | 39 |  |
| [16*]c1coc2cc(O)cc(O)c2c1=O | 6.0 | 39 |  |
| O=c1c(-c2ccccc2)coc2ccccc12 | 6.0 | 39 |  |
| O=c1cc(-c2ccccc2)oc2c(C3CCNCC3)cccc12 | 6.48 | 39 |  |
| [15*][C@H]1CCN(C)C[C@H]1O | 6.48 | 39 |  |