Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50326135'   

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 2C19 (Homo sapiens (Human))	BDBM50326135 (CHEMBL1242436 | azetidin-1-yl(6-(2-(4-(2-methylqui...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCC2)CC1 Show InChI InChI=1S/C30H32N6O2/c1-21-9-10-23-24(32-21)6-3-7-25(23)34-17-15-33(16-18-34)14-11-22-5-2-8-26-29(22)38-19-27-28(31-20-36(26)27)30(37)35-12-4-13-35/h2-3,5-10,20H,4,11-19H2,1H3	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair