Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50166863'   

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))	BDBM50166863 (CHEMBL3799529) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H19NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11H,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate incubated for 30 mins by fluorescence analysis in prese...				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair