Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50180843'   

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))	BDBM50180843 (CHEMBL3819226) Show SMILES CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3	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	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair