Adenosine kinase
Target ID: CHEMBL3589
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| RUBOXISTAURIN | CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1 | IC50: 300.0 nM |  |
| ADENOSINE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | Km: 42000.0 nM |  |
| AZD-1152-HQPA | CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1 | Ki: 10000.0 nM |  |
| DANUSERTIB | CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 | IC50: 13.0 nM |  |
| DABIGATRAN | Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21 | IC50: 9.3 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 6.96 | 116 |  |
| [4*]C[8*] | 7.27 | 77 |  |
| [5*]N([5*])[5*] | 6.5 | 77 |  |
| [1*]C([6*])=O | 7.96 | 77 |  |
| [5*]N(C)C | 6.52 | 39 |  |