BDBM50149805 2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyridine::5-(2-Methyl-thiazol-4-ylethynyl)-[2,3'']bipyridinyl::CHEMBL369310

SMILES: Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1

InChI Key: InChIKey=PTKUANYKLGZFAX-UHFFFAOYSA-N

Data: 5 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 8 hits for monomerid = 50149805   

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))	BDBM50149805 (2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement by compound of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes				Bioorg Med Chem Lett 14: 3993-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.037 BindingDB Entry DOI: 10.7270/Q2T43SKQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50149805 (2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry				Bioorg Med Chem 23: 3040-58 (2015) BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50149805 (2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	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 cloned mGluR5 (unknown origin) 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))	BDBM50149805 (2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry				Bioorg Med Chem 23: 3040-58 (2015) BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (RAT)	BDBM50149805 (2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from rat cloned mGluR1 receptor expressed in CHO-T-Rex cells after 30 mins by liquid scintillation spectrometry				Bioorg Med Chem 23: 3040-58 (2015) BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50149805 (2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Negative allosteric modulatory activity at human cloned mGluR5 receptor expressed in CHO-T-Rex cells assessed as inhibiton of quisqualate-induced cal...				Bioorg Med Chem 23: 3040-58 (2015) BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50149805 (2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,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	5.20	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 5 (Homo sapiens (Human))	BDBM50149805 (2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist				Bioorg Med Chem Lett 14: 3993-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.037 BindingDB Entry DOI: 10.7270/Q2T43SKQ
					More data for this Ligand-Target Pair