NHDF
Target ID: CHEMBL614200
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| FLOXURIDINE | O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F | IC50: 2.0 nM |  |
| AMIFOSTINE | NCCCNCCSP(=O)(O)O | LD50: 1049.0 mg.kg-1 |  |
| QUERCETIN | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | IC50: 32870.0 nM |  |
| IMATINIB | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | IC50: 40.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 7.4 | 45 |  |
| 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 |  |
| [1*]C([6*])=O | 7.4 | 39 |  |