CNE-2
Target ID: CHEMBL4296409
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| VORINOSTAT | O=C(CCCCCCC(=O)Nc1ccccc1)NO | Inhibition: 100.0 % |  |
| ALVOCIDIB | CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 | IC50: 330.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [16*]c1ccccc1 | None | 39 |  |
| [1*]C(=O)CCCCCCC(=O)NO | None | 39 |  |
| [5*]N[5*] | None | 39 |  |
| c1ccccc1 | None | 39 |  |
| O=c1cc(-c2ccccc2)oc2c(C3CCNCC3)cccc12 | 6.48 | 39 |  |