CDK3/Cyclin E
Target ID: CHEMBL3038471
Organism: Homo sapiens
Type: PROTEIN COMPLEX
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| AT-7519 | O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl | IC50: 47.0 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*] | 6.84 | 117 |  |
| O=C(Nc1c[nH]nc1C(=O)NC1CCNCC1)c1ccccc1 | 7.33 | 39 |  |
| [1*]C([6*])=O | 7.33 | 39 |  |
| [15*]C1CCNCC1 | 7.33 | 39 |  |
| [14*]c1n[nH]cc1[16*] | 7.33 | 39 |  |