Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50220015'   

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))	BDBM50220015 ((5R)-3-{3-fluoro-4-[6-(hydroxymethyl)pyridin-3-yl]...) Show SMILES OCc1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C18H16FN5O3/c19-17-7-14(3-4-16(17)12-1-2-13(11-25)20-8-12)24-10-15(27-18(24)26)9-23-6-5-21-22-23/h1-8,15,25H,9-11H2/t15-/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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19				J Med Chem 50: 4868-81 (2007) Article DOI: 10.1021/jm070428+ BindingDB Entry DOI: 10.7270/Q2SX6CX0
					More data for this Ligand-Target Pair