Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50314274'   

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))	BDBM50314274 ((-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo...) Show SMILES COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r| Show InChI InChI=1S/C20H24N2OS/c1-14(15-9-7-12-21-20(15)23-4)19-16-8-5-6-10-17(16)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assay				Bioorg Med Chem Lett 20: 2316-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.134 BindingDB Entry DOI: 10.7270/Q2P55PG0
					More data for this Ligand-Target Pair