Compile Data Set for Download or QSAR
Found 25 Enz. Inhib. hit(s) with all data for entry = 50015346
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154977(2-{2-[3-fluoro-5-(pyridin-3-yloxy)phenyl]-2H-tetra...)
Show SMILES Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H11FN6O/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H
Affinity DataKi:  12nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50151910(3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-benzonit...)
Show SMILES Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
Show InChI InChI=1S/C13H7FN6/c14-10-5-9(8-15)6-11(7-10)20-18-13(17-19-20)12-3-1-2-4-16-12/h1-7H
Affinity DataKi:  14nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154971(2-{2-[3-fluoro-5-(pyridin-3-ylthio)phenyl]-2H-tetr...)
Show SMILES Fc1cc(Sc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H11FN6S/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H
Affinity DataKi:  16nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154974(1-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-pheny...)
Show SMILES Fc1cc(cc(c1)-n1ccc2ccncc12)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C19H12FN7/c20-14-9-15(26-8-5-13-4-7-21-12-18(13)26)11-16(10-14)27-24-19(23-25-27)17-3-1-2-6-22-17/h1-12H
Affinity DataKi:  25nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154972(CHEMBL366333 | [3-Fluoro-5-(5-pyridin-2-yl-tetrazo...)
Show SMILES Fc1cc(Nc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H12FN7/c18-12-8-14(21-13-4-3-6-19-11-13)10-15(9-12)25-23-17(22-24-25)16-5-1-2-7-20-16/h1-11,21H
Affinity DataKi:  29nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154973(CHEMBL363488 | [3-Fluoro-5-(5-pyridin-2-yl-tetrazo...)
Show SMILES CN(c1cccnc1)c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H14FN7/c1-25(14-5-4-7-20-12-14)15-9-13(19)10-16(11-15)26-23-18(22-24-26)17-6-2-3-8-21-17/h2-12H,1H3
Affinity DataKi:  30nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154970(2-{2-[3-fluoro-5-(pyridin-3-ylmethyl)phenyl]-2H-te...)
Show SMILES Fc1cc(Cc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H13FN6/c19-15-9-14(8-13-4-3-6-20-12-13)10-16(11-15)25-23-18(22-24-25)17-5-1-2-7-21-17/h1-7,9-12H,8H2
Affinity DataKi:  38nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154978(2-{2-[3-(pyridin-3-yloxy)phenyl]-2H-tetrazol-5-yl}...)
Show SMILES O(c1cccnc1)c1cccc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H12N6O/c1-2-10-19-16(8-1)17-20-22-23(21-17)13-5-3-6-14(11-13)24-15-7-4-9-18-12-15/h1-12H
Affinity DataKi:  59nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50151907(3-(5-Pyridin-2-yl-tetrazol-2-yl)-benzonitrile | CH...)
Show SMILES N#Cc1cccc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C13H8N6/c14-9-10-4-3-5-11(8-10)19-17-13(16-18-19)12-6-1-2-7-15-12/h1-8H
Affinity DataKi:  186nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154975(2-[2-(3-Phenoxy-phenyl)-2H-tetrazol-5-yl]-pyridine...)
Show SMILES O(c1ccccc1)c1cccc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H13N5O/c1-2-8-15(9-3-1)24-16-10-6-7-14(13-16)23-21-18(20-22-23)17-11-4-5-12-19-17/h1-13H
Affinity DataKi:  617nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154976(2-{2-[3-(pyridin-2-yloxy)phenyl]-2H-tetrazol-5-yl}...)
Show SMILES O(c1cccc(c1)-n1nnc(n1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C17H12N6O/c1-3-10-18-15(8-1)17-20-22-23(21-17)13-6-5-7-14(12-13)24-16-9-2-4-11-19-16/h1-12H
Affinity DataKi:  633nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154979(2-{2-[4-(pyridin-3-yloxy)phenyl]-2H-tetrazol-5-yl}...)
Show SMILES O(c1ccc(cc1)-n1nnc(n1)-c1ccccn1)c1cccnc1
Show InChI InChI=1S/C17H12N6O/c1-2-11-19-16(5-1)17-20-22-23(21-17)13-6-8-14(9-7-13)24-15-4-3-10-18-12-15/h1-12H
Affinity DataKi:  633nMAssay Description:Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50151910(3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-benzonit...)
Show SMILES Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
Show InChI InChI=1S/C13H7FN6/c14-10-5-9(8-15)6-11(7-10)20-18-13(17-19-20)12-3-1-2-4-16-12/h1-7H
Affinity DataIC50: 3.90nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154977(2-{2-[3-fluoro-5-(pyridin-3-yloxy)phenyl]-2H-tetra...)
Show SMILES Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H11FN6O/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H
Affinity DataIC50: 6.70nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154971(2-{2-[3-fluoro-5-(pyridin-3-ylthio)phenyl]-2H-tetr...)
Show SMILES Fc1cc(Sc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H11FN6S/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H
Affinity DataIC50: 13nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154974(1-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-pheny...)
Show SMILES Fc1cc(cc(c1)-n1ccc2ccncc12)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C19H12FN7/c20-14-9-15(26-8-5-13-4-7-21-12-18(13)26)11-16(10-14)27-24-19(23-25-27)17-3-1-2-6-22-17/h1-12H
Affinity DataIC50: 16nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154970(2-{2-[3-fluoro-5-(pyridin-3-ylmethyl)phenyl]-2H-te...)
Show SMILES Fc1cc(Cc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H13FN6/c19-15-9-14(8-13-4-3-6-20-12-13)10-16(11-15)25-23-18(22-24-25)17-5-1-2-7-21-17/h1-7,9-12H,8H2
Affinity DataIC50: 17nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154973(CHEMBL363488 | [3-Fluoro-5-(5-pyridin-2-yl-tetrazo...)
Show SMILES CN(c1cccnc1)c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H14FN7/c1-25(14-5-4-7-20-12-14)15-9-13(19)10-16(11-15)26-23-18(22-24-26)17-6-2-3-8-21-17/h2-12H,1H3
Affinity DataIC50: 22nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154978(2-{2-[3-(pyridin-3-yloxy)phenyl]-2H-tetrazol-5-yl}...)
Show SMILES O(c1cccnc1)c1cccc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H12N6O/c1-2-10-19-16(8-1)17-20-22-23(21-17)13-5-3-6-14(11-13)24-15-7-4-9-18-12-15/h1-12H
Affinity DataIC50: 30nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50151907(3-(5-Pyridin-2-yl-tetrazol-2-yl)-benzonitrile | CH...)
Show SMILES N#Cc1cccc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C13H8N6/c14-9-10-4-3-5-11(8-10)19-17-13(16-18-19)12-6-1-2-7-15-12/h1-8H
Affinity DataIC50: 73nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154972(CHEMBL366333 | [3-Fluoro-5-(5-pyridin-2-yl-tetrazo...)
Show SMILES Fc1cc(Nc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H12FN7/c18-12-8-14(21-13-4-3-6-19-11-13)10-15(9-12)25-23-17(22-24-25)16-5-1-2-7-20-16/h1-11,21H
Affinity DataIC50: 124nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154979(2-{2-[4-(pyridin-3-yloxy)phenyl]-2H-tetrazol-5-yl}...)
Show SMILES O(c1ccc(cc1)-n1nnc(n1)-c1ccccn1)c1cccnc1
Show InChI InChI=1S/C17H12N6O/c1-2-11-19-16(5-1)17-20-22-23(21-17)13-6-8-14(9-7-13)24-15-4-3-10-18-12-15/h1-12H
Affinity DataIC50: 737nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154975(2-[2-(3-Phenoxy-phenyl)-2H-tetrazol-5-yl]-pyridine...)
Show SMILES O(c1ccccc1)c1cccc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H13N5O/c1-2-8-15(9-3-1)24-16-10-6-7-14(13-16)23-21-18(20-22-23)17-11-4-5-12-19-17/h1-13H
Affinity DataIC50: 1.46E+3nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154980(2-{2-[2-(pyridin-3-yloxy)phenyl]-2H-tetrazol-5-yl}...)
Show SMILES O(c1cccnc1)c1ccccc1-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H12N6O/c1-2-9-16(24-13-6-5-10-18-12-13)15(8-1)23-21-17(20-22-23)14-7-3-4-11-19-14/h1-12H
Affinity DataIC50: 1.58E+3nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154976(2-{2-[3-(pyridin-2-yloxy)phenyl]-2H-tetrazol-5-yl}...)
Show SMILES O(c1cccc(c1)-n1nnc(n1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C17H12N6O/c1-3-10-18-15(8-1)17-20-22-23(21-17)13-6-5-7-14(12-13)24-16-9-2-4-11-19-16/h1-12H
Affinity DataIC50: 2.86E+3nMAssay Description:Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonistMore data for this Ligand-Target Pair