Compile Data Set for Download or QSAR
Found 13 Enz. Inhib. hit(s) with all data for entry = 50015348
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50154997(3-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-pheny...)
Show SMILES Cc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H13FN6/c1-12-5-7-20-11-16(12)13-8-14(19)10-15(9-13)25-23-18(22-24-25)17-4-2-3-6-21-17/h2-11H,1H3
Affinity DataKi:  1.80nMAssay 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
LigandPNGBDBM50155000(3-{3-Fluoro-5-[5-(1H-imidazol-2-yl)-tetrazol-2-yl]...)
Show SMILES Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ncc[nH]1
Show InChI InChI=1S/C15H10FN7O/c16-10-6-11(8-13(7-10)24-12-2-1-3-17-9-12)23-21-15(20-22-23)14-18-4-5-19-14/h1-9H,(H,18,19)
Affinity DataKi:  3.20nMAssay 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
LigandPNGBDBM50155006(3-{3-Fluoro-5-[5-(1H-imidazol-2-yl)-tetrazol-2-yl]...)
Show SMILES Cc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ncc[nH]1
Show InChI InChI=1S/C16H12FN7/c1-10-2-3-18-9-14(10)11-6-12(17)8-13(7-11)24-22-16(21-23-24)15-19-4-5-20-15/h2-9H,1H3,(H,19,20)
Affinity DataKi:  3.5nMAssay 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
LigandPNGBDBM50154999(3-Fluoro-5-[5-(1H-imidazol-2-yl)-tetrazol-2-yl]-be...)
Show SMILES Fc1cc(cc(c1)-n1nnc(n1)-c1ncc[nH]1)C#N
Show InChI InChI=1S/C11H6FN7/c12-8-3-7(6-13)4-9(5-8)19-17-11(16-18-19)10-14-1-2-15-10/h1-5H,(H,14,15)
Affinity DataKi:  9.30nMAssay 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
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
LigandPNGBDBM50155005(3-Fluoro-5-[5-(4-methyl-1H-imidazol-2-yl)-tetrazol...)
Show SMILES Cc1c[nH]c(n1)-c1nnn(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H8FN7/c1-7-6-15-11(16-7)12-17-19-20(18-12)10-3-8(5-14)2-9(13)4-10/h2-4,6H,1H3,(H,15,16)
Affinity DataKi:  19nMAssay 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
LigandPNGBDBM50155007(3-[5-(1H-Imidazol-2-yl)-tetrazol-2-yl]-benzonitril...)
Show SMILES N#Cc1cccc(c1)-n1nnc(n1)-c1ncc[nH]1
Show InChI InChI=1S/C11H7N7/c12-7-8-2-1-3-9(6-8)18-16-11(15-17-18)10-13-4-5-14-10/h1-6H,(H,13,14)
Affinity DataKi:  34nMAssay 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:  102nMAssay 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
LigandPNGBDBM50155002(3-(5-Thiazol-4-yl-tetrazol-2-yl)-benzonitrile | CH...)
Show SMILES N#Cc1cccc(c1)-n1nnc(n1)-c1cscn1
Show InChI InChI=1S/C11H6N6S/c12-5-8-2-1-3-9(4-8)17-15-11(14-16-17)10-6-18-7-13-10/h1-4,6-7H
Affinity DataKi:  157nMAssay 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
LigandPNGBDBM50155003(3-(5-Thiazol-2-yl-tetrazol-2-yl)-benzonitrile | CH...)
Show SMILES N#Cc1cccc(c1)-n1nnc(n1)-c1nccs1
Show InChI InChI=1S/C11H6N6S/c12-7-8-2-1-3-9(6-8)17-15-10(14-16-17)11-13-4-5-18-11/h1-6H
Affinity DataKi:  183nMAssay 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
LigandPNGBDBM50155004(3-[5-(1H-Pyrazol-3-yl)-tetrazol-2-yl]-benzonitrile...)
Show SMILES N#Cc1cccc(c1)-n1nnc(n1)-c1cc[nH]n1
Show InChI InChI=1S/C11H7N7/c12-7-8-2-1-3-9(6-8)18-16-11(15-17-18)10-4-5-13-14-10/h1-6H,(H,13,14)
Affinity DataKi: >2.00E+3nMAssay 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
LigandPNGBDBM50155001(3-[5-(1H-Imidazol-4-yl)-tetrazol-2-yl]-benzonitril...)
Show SMILES N#Cc1cccc(c1)-n1nnc(n1)-c1c[nH]cn1
Show InChI InChI=1S/C11H7N7/c12-5-8-2-1-3-9(4-8)18-16-11(15-17-18)10-6-13-7-14-10/h1-4,6-7H,(H,13,14)
Affinity DataKi: >2.00E+3nMAssay 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