MOLM-14
Target ID: CHEMBL3706570
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| CAFFEIC ACID | O=C(O)/C=C/c1ccc(O)c(O)c1 | IC50: 1200000.0 nM |  |
| TANDUTINIB | COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1 | IC50: 26.0 nM |  |
| VORINOSTAT | O=C(CCCCCCC(=O)Nc1ccccc1)NO | Inhibition: 100.0 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| c1ccccc1 | 2.92 | 78 |  |
| [5*]N[5*] | 7.59 | 78 |  |
| [16*]c1ccc(O)c(O)c1 | 2.92 | 39 |  |
| [7*]CC(=O)O | 2.92 | 39 |  |
| [7*]C[8*] | 2.92 | 39 |  |