Target ID: CHEMBL4105974
Organism: Homo sapiens
Type: SINGLE PROTEIN
Name | SMILES | Bioactivity | Structure |
---|---|---|---|
BAFETINIB | Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 | IC50: 11.0 nM | ![]() |
CANERTINIB | C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 | IC50: 74.0 nM | ![]() |
SU-014813 | Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 | Kd: 1.8 nM | ![]() |
MOTESANIB | CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21 | Kd: 1100.0 nM | ![]() |
IMATINIB | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | IC50: 40.0 nM | ![]() |
LAPATINIB | CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 | IC50: 10.0 nM | ![]() |
TOZASERTIB | Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 | Ki: 0.6 nM | ![]() |
GEFITINIB | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | IC50: 515.0 nM | ![]() |
SMILES | Avg pKi | Count | Structure |
---|---|---|---|
[5*]N[5*] | 7.59 | 312 | ![]() |
[1*]C([6*])=O | 7.86 | 195 | ![]() |
[4*]C[8*] | 7.33 | 156 | ![]() |
[5*]N1CCOCC1 | 7.39 | 117 | ![]() |
[3*]O[3*] | 7.14 | 117 | ![]() |