BDBM50243108 5-(phenylethynyl)pyrimidine::CHEMBL486244

SMILES: c1ccc(cc1)C#Cc1cncnc1

InChI Key: InChIKey=HSQDWKSXSIUOJC-UHFFFAOYSA-N

Data: 1 KI  4 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 = 50243108   

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))	BDBM50243108 (5-(phenylethynyl)pyrimidine | CHEMBL486244) Show SMILES c1ccc(cc1)C#Cc1cncnc1 Show InChI InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPy from rat mGluR5 expressed in HEK293A cells				Bioorg Med Chem Lett 18: 4098-101 (2008) Article DOI: 10.1016/j.bmcl.2008.05.091 BindingDB Entry DOI: 10.7270/Q2W66KJ7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50243108 (5-(phenylethynyl)pyrimidine | CHEMBL486244) Show SMILES c1ccc(cc1)C#Cc1cncnc1 Show InChI InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	486	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation activity at mGlu5 receptor				J Med Chem 55: 1445-64 (2012) Article DOI: 10.1021/jm201139r BindingDB Entry DOI: 10.7270/Q25D8SWH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50243108 (5-(phenylethynyl)pyrimidine | CHEMBL486244) Show SMILES c1ccc(cc1)C#Cc1cncnc1 Show InChI InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	486	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50243108 (5-(phenylethynyl)pyrimidine | CHEMBL486244) Show SMILES c1ccc(cc1)C#Cc1cncnc1 Show InChI InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium fluorescence				Bioorg Med Chem Lett 18: 4098-101 (2008) Article DOI: 10.1016/j.bmcl.2008.05.091 BindingDB Entry DOI: 10.7270/Q2W66KJ7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50243108 (5-(phenylethynyl)pyrimidine | CHEMBL486244) Show SMILES c1ccc(cc1)C#Cc1cncnc1 Show InChI InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	486	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate-induced response				J Med Chem 52: 4103-6 (2009) Article DOI: 10.1021/jm900654c BindingDB Entry DOI: 10.7270/Q2PZ58RJ
					More data for this Ligand-Target Pair