Angiotensin-converting enzyme
Target ID: CHEMBL1808
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| VORINOSTAT | O=C(CCCCCCC(=O)Nc1ccccc1)NO | Inhibition: 100.0 % |  |
| FALDAPREVIR | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O | IC50: 3.0 nM |  |
| HYDROCHLOROTHIAZIDE | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | IC50: 181970085860998.25 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 8.52 | 66 |  |
| [16*]c1ccccc1 | None | 39 |  |
| [1*]C(=O)CCCCCCC(=O)NO | None | 39 |  |
| c1ccccc1 | None | 39 |  |
| O=S1(=O)NCNc2ccccc21 | -5.26 | 33 |  |