Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50345550'   

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))	BDBM50345550 (3-(2-(2-Methylthiazol-4-yl)ethynyl)-5-nitrobenzoni...) Show SMILES Cc1nc(cs1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N Show InChI InChI=1S/C13H7N3O2S/c1-9-15-12(8-19-9)3-2-10-4-11(7-14)6-13(5-10)16(17)18/h4-6,8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345550 (3-(2-(2-Methylthiazol-4-yl)ethynyl)-5-nitrobenzoni...) Show SMILES Cc1nc(cs1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N Show InChI InChI=1S/C13H7N3O2S/c1-9-15-12(8-19-9)3-2-10-4-11(7-14)6-13(5-10)16(17)18/h4-6,8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair