Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50160631'   

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))	BDBM50160631 (2-{[5-(3-methoxyphenyl)pyridin-3-yl]ethynyl}-6-met...) Show SMILES COc1cccc(c1)-c1cncc(c1)C#Cc1cccc(C)n1 Show InChI InChI=1S/C20H16N2O/c1-15-5-3-7-19(22-15)10-9-16-11-18(14-21-13-16)17-6-4-8-20(12-17)23-2/h3-8,11-14H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay				Bioorg Med Chem Lett 15: 945-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.047 BindingDB Entry DOI: 10.7270/Q2QN6681
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50160631 (2-{[5-(3-methoxyphenyl)pyridin-3-yl]ethynyl}-6-met...) Show SMILES COc1cccc(c1)-c1cncc(c1)C#Cc1cccc(C)n1 Show InChI InChI=1S/C20H16N2O/c1-15-5-3-7-19(22-15)10-9-16-11-18(14-21-13-16)17-6-4-8-20(12-17)23-2/h3-8,11-14H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Concentration required for 50% growth inhibition of rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay				Bioorg Med Chem Lett 15: 945-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.047 BindingDB Entry DOI: 10.7270/Q2QN6681
					More data for this Ligand-Target Pair