Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50019719   

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))	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	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207078 (4-(3,5-Difluorophenyl)-N-(6-methylpyrindin-2-yl)pi...) Show SMILES Cc1cccc(NC(=O)c2cc(ccn2)-c2cc(F)cc(F)c2)n1 Show InChI InChI=1S/C18H13F2N3O/c1-11-3-2-4-17(22-11)23-18(24)16-9-12(5-6-21-16)13-7-14(19)10-15(20)8-13/h2-10H,1H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207080 (CHEMBL248141 | N-(6-methylpyridin-2-yl)-5-(pyridin...) Show SMILES Cc1cccc(NC(=O)c2ccc(cn2)-c2ccccn2)n1 Show InChI InChI=1S/C17H14N4O/c1-12-5-4-7-16(20-12)21-17(22)15-9-8-13(11-19-15)14-6-2-3-10-18-14/h2-11H,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207082 (CHEMBL245877 | N-(6-methylpyridin-2-yl)-4-(naphtha...) Show SMILES Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc3ccccc23)n1 Show InChI InChI=1S/C22H17N3O/c1-15-6-4-11-21(24-15)25-22(26)20-14-17(12-13-23-20)19-10-5-8-16-7-2-3-9-18(16)19/h2-14H,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207079 (4-(3-cyanophenyl)-N-(6-methylpyridin-2-yl)picolina...) Show SMILES Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C19H14N4O/c1-13-4-2-7-18(22-13)23-19(24)17-11-16(8-9-21-17)15-6-3-5-14(10-15)12-20/h2-11H,1H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207081 (CHEMBL248128 | N-(6-methylpyridin-2-yl)isoquinolin...) Show SMILES Cc1cccc(NC(=O)c2nccc3ccccc23)n1 Show InChI InChI=1S/C16H13N3O/c1-11-5-4-8-14(18-11)19-16(20)15-13-7-3-2-6-12(13)9-10-17-15/h2-10H,1H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207088 (4-(3-fluorophenyl)-N-(6-methylpyridin-2-yl)picolin...) Show SMILES Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc(F)c2)n1 Show InChI InChI=1S/C18H14FN3O/c1-12-4-2-7-17(21-12)22-18(23)16-11-14(8-9-20-16)13-5-3-6-15(19)10-13/h2-11H,1H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207086 (5-(2-methoxyphenyl)-N-(6-methylpyridin-2-yl)picoli...) Show SMILES COc1ccccc1-c1ccc(nc1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C19H17N3O2/c1-13-6-5-9-18(21-13)22-19(23)16-11-10-14(12-20-16)15-7-3-4-8-17(15)24-2/h3-12H,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207083 (CHEMBL247330 | N-(6-methylpyridin-2-yl)-4-(pyrimid...) Show SMILES Cc1cccc(NC(=O)c2cc(ccn2)-c2ncccn2)n1 Show InChI InChI=1S/C16H13N5O/c1-11-4-2-5-14(20-11)21-16(22)13-10-12(6-9-17-13)15-18-7-3-8-19-15/h2-10H,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207087 (CHEMBL396078 | N-(6-methylpyridin-2-yl)-5-phenylpi...) Show SMILES Cc1cccc(NC(=O)c2ccc(cn2)-c2ccccc2)n1 Show InChI InChI=1S/C18H15N3O/c1-13-6-5-9-17(20-13)21-18(22)16-11-10-15(12-19-16)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207085 (1-methyl-N-(6-methylpyridin-2-yl)-1H-imidazole-2-c...) Show SMILES Cc1cccc(NC(=O)c2nccn2C)n1 Show InChI InChI=1S/C11H12N4O/c1-8-4-3-5-9(13-8)14-11(16)10-12-6-7-15(10)2/h3-7H,1-2H3,(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50207084 (1-methyl-N-(6-methylpyridin-2-yl)-1H-pyrrole-2-car...) Show SMILES Cc1cccc(NC(=O)c2cccn2C)n1 Show InChI InChI=1S/C12H13N3O/c1-9-5-3-7-11(13-9)14-12(16)10-6-4-8-15(10)2/h3-8H,1-2H3,(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membrane				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50207078 (4-(3,5-Difluorophenyl)-N-(6-methylpyrindin-2-yl)pi...) Show SMILES Cc1cccc(NC(=O)c2cc(ccn2)-c2cc(F)cc(F)c2)n1 Show InChI InChI=1S/C18H13F2N3O/c1-11-3-2-4-17(22-11)23-18(24)16-9-12(5-6-21-16)13-7-14(19)10-15(20)8-13/h2-10H,1H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Antagonist activity at mGluR5 expressed in CHO cells assessed as phosphoinositide hydrolysis				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50186330 (3-cyano-N-(6-methylpyridin-2-yl)benzamide | CHEMBL...) Show SMILES Cc1cccc(NC(=O)c2cccc(c2)C#N)n1 Show InChI InChI=1S/C14H11N3O/c1-10-4-2-7-13(16-10)17-14(18)12-6-3-5-11(8-12)9-15/h2-8H,1H3,(H,16,17,18)	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	5.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Antagonist activity at mGluR5 expressed in CHO cells assessed as phosphoinositide hydrolysis				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50207079 (4-(3-cyanophenyl)-N-(6-methylpyridin-2-yl)picolina...) Show SMILES Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C19H14N4O/c1-13-4-2-7-18(22-13)23-19(24)17-11-16(8-9-21-17)15-6-3-5-14(10-15)12-20/h2-11H,1H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Antagonist activity at mGluR5 expressed in CHO cells assessed as phosphoinositide hydrolysis				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50207080 (CHEMBL248141 | N-(6-methylpyridin-2-yl)-5-(pyridin...) Show SMILES Cc1cccc(NC(=O)c2ccc(cn2)-c2ccccn2)n1 Show InChI InChI=1S/C17H14N4O/c1-12-5-4-7-16(20-12)21-17(22)15-9-8-13(11-19-15)14-6-2-3-10-18-14/h2-11H,1H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Antagonist activity at mGluR5 expressed in CHO cells assessed as phosphoinositide hydrolysis				Bioorg Med Chem Lett 17: 2074-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.083 BindingDB Entry DOI: 10.7270/Q228078G
					More data for this Ligand-Target Pair