CDK6/cyclin D1
Target ID: CHEMBL2111455
Organism: Homo sapiens
Type: PROTEIN COMPLEX
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| BOSUTINIB | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | IC50: 1.3 nM |  |
| SELICICLIB | CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 | IC50: 450.0 nM |  |
| AT-7519 | O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl | IC50: 47.0 nM |  |
| SORAFENIB | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | IC50: 12.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 7.62 | 156 |  |
| [3*]O[3*] | 8.4 | 78 |  |
| [1*]C([6*])=O | 7.62 | 78 |  |
| [4*]CCC[4*] | 8.89 | 39 |  |
| [3*]OC | 8.89 | 39 |  |