Cyclin-dependent kinase 1
Target ID: CHEMBL308
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| VANDETANIB | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | IC50: 900.0 nM |  |
| SEMAXANIB | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | IC50: 700.0 nM |  |
| LINIFANIB | Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 | IC50: 4.0 nM |  |
| VATALANIB | Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 | IC50: 37.0 nM |  |
| MLN-8054 | O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1 | Activity: 39.7 % |  |
| SELICICLIB | CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 | IC50: 450.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 7.39 | 156 |  |
| [4*]C[8*] | 6.2 | 78 |  |
| [16*]c1ccc([16*])cc1 | 8.4 | 78 |  |
| [15*]C1CCN(C)CC1 | 6.05 | 39 |  |
| [16*]c1cc2[nH]cn/c(=N\c3ccc(Br)cc3F)c2cc1[16*] | 6.05 | 39 |  |