BDBM50123005 2-(3-Methoxy-phenylethynyl)-6-methyl-pyridine::2-methyl-6-((3-methoxyphenyl)ethynyl)-pyridine::CHEMBL332397

SMILES: COc1cccc(c1)C#Cc1cccc(C)n1

InChI Key: InChIKey=STDHINPODVHROK-UHFFFAOYSA-N

Data: 2 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50123005   

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 5 (Homo sapiens (Human))	BDBM50123005 (2-(3-Methoxy-phenylethynyl)-6-methyl-pyridine | 2-...) Show SMILES COc1cccc(c1)C#Cc1cccc(C)n1 Show InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50123005 (2-(3-Methoxy-phenylethynyl)-6-methyl-pyridine | 2-...) Show SMILES COc1cccc(c1)C#Cc1cccc(C)n1 Show InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGluR5 in rat brain membrane				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50123005 (2-(3-Methoxy-phenylethynyl)-6-methyl-pyridine | 2-...) Show SMILES COc1cccc(c1)C#Cc1cccc(C)n1 Show InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8	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				3D Structure (crystal)