Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50345947'   

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
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50345947 (3-(4-Chloro-phenyl)-9-prop-2-ynylamino-3H-pyrido[3...) Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O Show InChI InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5				Bioorg Med Chem Lett 19: 3199-203 (2009) Article DOI: 10.1016/j.bmcl.2009.04.104 BindingDB Entry DOI: 10.7270/Q27081SJ
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