AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1
Target ID: CHEMBL2111345
Organism: Homo sapiens
Type: PROTEIN COMPLEX
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| SEMAXANIB | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | IC50: 700.0 nM |  |
| IMATINIB | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | IC50: 40.0 nM |  |
| MIDOSTAURIN | CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | Kd: 11.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [1*]C([6*])=O | 7.68 | 78 |  |
| [14*]c1[nH]c(C)cc1C | 6.15 | 39 |  |
| O=C1Nc2ccccc2/C1=C/c1ccc[nH]1 | 6.15 | 39 |  |
| [7*]C1C(=O)Nc2ccccc21 | 6.15 | 39 |  |
| [7*]C[8*] | 6.15 | 39 |  |