Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50012788   

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))	BDBM50122759 (2-Methyl-4-phenylethynyl-thiazole | CHEMBL63042) Show SMILES Cc1nc(cs1)C#Cc1ccccc1 Show InChI InChI=1S/C12H9NS/c1-10-13-12(9-14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50122758 (2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...) Show SMILES Cc1nc(cs1)C#Cc1cccnc1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50122762 (4-Methyl-2-phenylethynyl-thiazole | CHEMBL65417) Show SMILES Cc1csc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C12H9NS/c1-10-9-14-12(13-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50122757 (2-(2-Methyl-thiazol-4-ylethynyl)-pyridine | CHEMBL...) Show SMILES Cc1nc(cs1)C#Cc1ccccn1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)6-5-10-4-2-3-7-12-10/h2-4,7-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50122761 (4-Phenylethynyl-thiazole | CHEMBL63093) Show SMILES c1nc(cs1)C#Cc1ccccc1 Show InChI InChI=1S/C11H7NS/c1-2-4-10(5-3-1)6-7-11-8-13-9-12-11/h1-5,8-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50122760 (2-Phenylethynyl-thiazole | CHEMBL65886) Show SMILES c1csc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C11H7NS/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5,8-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50122763 (4-(2-Methyl-thiazol-4-ylethynyl)-pyridine | CHEMBL...) Show SMILES Cc1nc(cs1)C#Cc1ccncc1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)3-2-10-4-6-12-7-5-10/h4-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as ant...				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50122758 (2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...) Show SMILES Cc1nc(cs1)C#Cc1cccnc1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as ant...				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50122759 (2-Methyl-4-phenylethynyl-thiazole | CHEMBL63042) Show SMILES Cc1nc(cs1)C#Cc1ccccc1 Show InChI InChI=1S/C12H9NS/c1-10-13-12(9-14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,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	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as ant...				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50122762 (4-Methyl-2-phenylethynyl-thiazole | CHEMBL65417) Show SMILES Cc1csc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C12H9NS/c1-10-9-14-12(13-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as ant...				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50122757 (2-(2-Methyl-thiazol-4-ylethynyl)-pyridine | CHEMBL...) Show SMILES Cc1nc(cs1)C#Cc1ccccn1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)6-5-10-4-2-3-7-12-10/h2-4,7-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as ant...				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50122760 (2-Phenylethynyl-thiazole | CHEMBL65886) Show SMILES c1csc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C11H7NS/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5,8-9H	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	81	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as ant...				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50122761 (4-Phenylethynyl-thiazole | CHEMBL63093) Show SMILES c1nc(cs1)C#Cc1ccccc1 Show InChI InChI=1S/C11H7NS/c1-2-4-10(5-3-1)6-7-11-8-13-9-12-11/h1-5,8-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as ant...				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50122763 (4-(2-Methyl-thiazol-4-ylethynyl)-pyridine | CHEMBL...) Show SMILES Cc1nc(cs1)C#Cc1ccncc1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)3-2-10-4-6-12-7-5-10/h4-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as ant...				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Mus musculus)	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for in vitro antagonistic activity against Monoamine oxidase				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for in vitro antagonistic activity against human N-methyl-D-aspartate glutamate receptor 2B				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Mus musculus)	BDBM50122758 (2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...) Show SMILES Cc1nc(cs1)C#Cc1cccnc1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for in vitro antagonistic activity against Monoamine oxidase A				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for in vitro antagonistic activity against Metabotropic glutamate receptor 1				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50122758 (2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...) Show SMILES Cc1nc(cs1)C#Cc1cccnc1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for in vitro antagonistic activity against Metabotropic glutamate receptor 1				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50122758 (2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...) Show SMILES Cc1nc(cs1)C#Cc1cccnc1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for in vitro antagonistic activity against recombinat human N-methyl-D-aspartate glutamate receptor 2B				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair