Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50536192'   

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))	BDBM50536192 (CHEMBL4570567) Show SMILES Cc1cc(cc(C)n1)-c1nc(cc(n1)-c1cccnc1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C25H30N6O/c1-18-14-21(15-19(2)27-18)25-28-23(20-4-3-7-26-17-20)16-24(29-25)31-8-5-22(6-9-31)30-10-12-32-13-11-30/h3-4,7,14-17,22H,5-6,8-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using 3-Cyano-7-Eth...				J Med Chem 59: 6101-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00028 BindingDB Entry DOI: 10.7270/Q2H41VZX
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