Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50394808'   

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))	BDBM50394808 (CHEMBL2163824) Show SMILES NC1CCCC(C1)NC(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H27Cl4N3O2/c26-15-5-4-14(20(28)11-15)10-22(23(33)31-18-3-1-2-17(30)13-18)32-24(34)25(8-9-25)19-7-6-16(27)12-21(19)29/h4-7,11-12,17-18,22H,1-3,8-10,13,30H2,(H,31,33)(H,32,34)/t17?,18?,22-/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	420	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using testosterone as substrate after 45 mins				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair