Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50334930'   

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))	BDBM50334930 (1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...) Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-11-26-10-7-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
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