Matrix metalloproteinase 12
Target ID: CHEMBL4393
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| VORINOSTAT | O=C(CCCCCCC(=O)Nc1ccccc1)NO | Inhibition: 100.0 % |  |
| ACETAZOLAMIDE | CC(=O)Nc1nnc(S(N)(=O)=O)s1 | Ki: 250.0 nM |  |
| QUERCETIN | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | IC50: 32870.0 nM |  |
| BORTEZOMIB | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O | Ki: 0.62 nM |  |
| DELANZOMIB | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O | IC50: 3.8 nM |  |
| ACETOHYDROXAMIC ACID | CC(=O)NO | IC50: 47000.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 8.09 | 138 |  |
| [16*]c1ccccc1 | 8.9 | 103 |  |
| [1*]C([6*])=O | 8.9 | 64 |  |
| [4*][C@@H](CC(C)C)B(O)O | 8.9 | 64 |  |
| [1*]C(=O)CCCCCCC(=O)NO | None | 39 |  |