Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50177061'   

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))	BDBM50177061 (9-Cyclopropylamino-3-(4-ethyl-phenyl)-3H-pyrido[3'...) Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC4CC4)c23)c1=O Show InChI InChI=1S/C20H18N4OS/c1-2-12-3-7-14(8-4-12)24-11-22-17-16-15(23-13-5-6-13)9-10-21-19(16)26-18(17)20(24)25/h3-4,7-11,13H,2,5-6H2,1H3,(H,21,23)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
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