PBMC
Target ID: CHEMBL613107
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| AMPHOTERICIN B | C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O | MIC: 4000.0 ug.mL-1 |  |
| SEMAXANIB | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | IC50: 700.0 nM |  |
| VATALANIB | Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 | IC50: 37.0 nM |  |
| CILOMILAST | COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1 | IC50: 100.0 nM |  |
| ROLIPRAM | COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1 | IC50: 1000.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]O[3*] | 6.5 | 96 |  |
| [16*]c1ccc([16*])c([16*])c1 | 6.5 | 78 |  |
| [15*]C1CCCC1 | 6.5 | 78 |  |
| [3*]OC | 6.5 | 78 |  |
| [6*]C(=O)O | 7.0 | 57 |  |