Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50150509'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50150509 (CHEMBL3769523) Show SMILES COc1ccc(Cc2nc3c(CCc4cc(ccc4C3=O)-n3cnc(C)c3)n2C)cc1 Show InChI InChI=1S/C25H24N4O2/c1-16-14-29(15-26-16)19-7-10-21-18(13-19)6-11-22-24(25(21)30)27-23(28(22)2)12-17-4-8-20(31-3)9-5-17/h4-5,7-10,13-15H,6,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 26: 1498-502 (2016) Article DOI: 10.1016/j.bmcl.2015.06.020 BindingDB Entry DOI: 10.7270/Q2CZ3910
					More data for this Ligand-Target Pair