Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50272659'   

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))	BDBM50272659 ((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...) Show SMILES Cc1c(-c2cccc(OCCCCC(O)=O)c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r| Show InChI InChI=1S/C32H31F4N3O5/c1-20-29(22-11-7-12-23(17-22)44-16-6-5-15-28(40)41)30(42)39(19-27(37)21-9-3-2-4-10-21)31(43)38(20)18-24-25(32(34,35)36)13-8-14-26(24)33/h2-4,7-14,17,27H,5-6,15-16,18-19,37H2,1H3,(H,40,41)/t27-/m0/s1	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	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 (unknown origin) by microtiter plate-based fluorimetric assay				Bioorg Med Chem Lett 18: 4503-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.059 BindingDB Entry DOI: 10.7270/Q2QR4WZJ
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