Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4/3A5' and Ligand = 'BDBM50491623'   

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 3A4/3A5 (Homo sapiens (Human))	BDBM50491623 (CHEMBL2386150) Show SMILES CC(C)c1ccc(cc1)-c1ccc(cn1)C#N Show InChI InChI=1S/C15H14N2/c1-11(2)13-4-6-14(7-5-13)15-8-3-12(9-16)10-17-15/h3-8,10-11H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by NADPH and substrate add...				ACS Med Chem Lett 4: 514-6 (2013) Article DOI: 10.1021/ml400045j BindingDB Entry DOI: 10.7270/Q2D50QWD
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