Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50166852'   

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))	BDBM50166852 (CHEMBL3797717) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-19-20(17-4-6-18(7-5-17)23(24,25)26)14-21(27-22(19)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3	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
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