Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with all data for entry = 50000612
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50255106(CHEMBL4104608)
Show SMILES COc1cnc(-n2cncn2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
Show InChI InChI=1S/C23H21N7O4/c1-34-17-12-26-21(30-14-24-13-27-30)19-18(17)16(11-25-19)20(31)23(33)29-9-7-28(8-10-29)22(32)15-5-3-2-4-6-15/h2-6,11-14,25H,7-10H2,1H3
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair