Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50318382'   

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))	BDBM50318382 (3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...) Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12| Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318382 (3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...) Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12| Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+	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	13.7	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Binding affinity to mGluR5 ligand binding site 2 in Sprague-Dawley rat brain P2 membrane after 45 mins by gamma counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318382 (3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...) Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12| Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+	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	0.600	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Binding affinity to mGluR5 ligand binding site 1 in Sprague-Dawley rat brain P2 membrane after 45 mins by gamma counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair