BDBM50160632 3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile::3-[(6-Methylpyridin-2-yl)ethynyl]benzonitrile::CHEMBL181483

SMILES: Cc1cccc(n1)C#Cc1cccc(c1)C#N

InChI Key: InChIKey=FKODYULBKPINFM-UHFFFAOYSA-N

Data: 2 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50160632   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50160632 (3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...) Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in Sprague-Dawley rat brain membrane after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 544-549 (2012) Article DOI: 10.1021/ml3000726 BindingDB Entry DOI: 10.7270/Q21C1Z4G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50160632 (3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...) Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat brain recombinant mGluR5 expressed in HEK293T cells by scintillation counting				J Med Chem 52: 3563-75 (2009) Article DOI: 10.1021/jm900172f BindingDB Entry DOI: 10.7270/Q2K937FV
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50160632 (3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...) Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at rat mGluR5 expressed in HEK293A cells coexpressing Gqalpha assessed as inhibition of quisqualic-induced D-myo-inositol 1 ...				ACS Med Chem Lett 3: 544-549 (2012) Article DOI: 10.1021/ml3000726 BindingDB Entry DOI: 10.7270/Q21C1Z4G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50160632 (3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...) Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutamate-induced calcium flux preincubated for 140 sec before glutamate cha...				J Med Chem 52: 3563-75 (2009) Article DOI: 10.1021/jm900172f BindingDB Entry DOI: 10.7270/Q2K937FV
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50160632 (3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...) Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	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