Target ID: CHEMBL6042
Organism: Homo sapiens
Type: SINGLE PROTEIN
Name | SMILES | Bioactivity | Structure |
---|---|---|---|
SELICICLIB | CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 | IC50: 450.0 nM | ![]() |
CP-724714 | COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 | IC50: 12.0 nM | ![]() |
LAPATINIB | CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 | IC50: 10.0 nM | ![]() |
SMILES | Avg pKi | Count | Structure |
---|---|---|---|
[5*]N[5*] | 7.42 | 117 | ![]() |
[4*]C[8*] | 7.17 | 78 | ![]() |
[14*]c1ncnc2ccc([16*])cc12 | 7.96 | 78 | ![]() |
[3*]O[3*] | 7.96 | 78 | ![]() |
c1ccc(CNc2ncnc3[nH]cnc23)cc1 | 6.35 | 39 | ![]() |