Target ID: CHEMBL1964
Organism: Homo sapiens
Type: SINGLE PROTEIN
Name | SMILES | Bioactivity | Structure |
---|---|---|---|
SUNITINIB | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | IC50: 80.0 nM | ![]() |
VARDENAFIL | CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | IC50: 0.7 nM | ![]() |
SILDENAFIL | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | Pc: 87000000.0 cm s-1 | ![]() |
LAPATINIB | CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 | IC50: 10.0 nM | ![]() |
TADALAFIL | CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O | IC50: 6.7 nM | ![]() |
SMILES | Avg pKi | Count | Structure |
---|---|---|---|
[4*]CC | 8.13 | 117 | ![]() |
[3*]O[3*] | 8.58 | 117 | ![]() |
[5*]N[5*] | 7.55 | 78 | ![]() |
[12*]S(=O)(=O)c1ccc([16*])c([16*])c1 | 9.15 | 78 | ![]() |
[8*]CCC | 9.15 | 78 | ![]() |