Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50240240'   

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))	BDBM50240240 (CHEMBL4102132) Show SMILES Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r,t:8| Show InChI InChI=1S/C21H19ClF2N4O2S2/c22-16-10-20(32(29,30)28-21-26-8-9-31-21)17(24)11-18(16)27-12-19-15(2-1-7-25-19)13-3-5-14(23)6-4-13/h2-6,8-11,19,25,27H,1,7,12H2,(H,26,28)/t19-/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	386	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem Lett 27: 2210-2215 (2017) Article DOI: 10.1016/j.bmcl.2017.03.043 BindingDB Entry DOI: 10.7270/Q2JH3PBN
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