Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50402800'   

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 (Rattus norvegicus (Rat))	BDBM50402800 (CHEMBL2208412) Show SMILES CC(N(c1ccccc1Cl)S(C)(=O)=O)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C16H16Cl2N2O3S/c1-11(16(21)19-13-7-5-6-12(17)10-13)20(24(2,22)23)15-9-4-3-8-14(15)18/h3-11H,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Ago-positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells by fluorescence-based calcium flux assay				Bioorg Med Chem Lett 22: 7388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.10.068 BindingDB Entry DOI: 10.7270/Q2H996BR
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