Compile Data Set for Download or QSAR
Found 8063 Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5'
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105834(CHEMBL3597594)
Show SMILES Cc1cccc(n1)C#CC=C1CCN(CC1)c1ncccc1[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3
Affinity DataKi:  0.0300nMAssay Description:Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50215552(3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethyny...)
Show SMILES FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2
Affinity DataKi:  0.0360nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat brainMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50258612(3-Fluoro-5-cyano-1-(2-methylthiazol-4-ylethynyl)be...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C13H7FN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3
Affinity DataKi:  0.0800nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat brainMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105833(CHEMBL3597593)
Show SMILES [O-][N+](=O)c1cccnc1N1CCC(CC1)=CC#Cc1ccccn1
Show InChI InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50345553(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-bromobenzoni...)
Show SMILES Cc1nc(cs1)C#Cc1cc(Br)cc(c1)C#N
Show InChI InChI=1S/C13H7BrN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3
Affinity DataKi:  0.106nMAssay Description:Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50345552(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-chlorobenzon...)
Show SMILES Cc1nc(cs1)C#Cc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C13H7ClN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3
Affinity DataKi:  0.127nMAssay Description:Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105801(CHEMBL3597596)
Show SMILES Cc1cccc(n1)C#CC=C1CCN(CC1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-6-4-8-18(21-16)9-5-7-17-12-14-22(15-13-17)19-10-2-3-11-20(19)23(24)25/h2-4,6-8,10-11H,12-15H2,1H3
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50345572(3-(2-(pyridin-2-yl)ethynyl)-5-fluorobenzonitrile |...)
Show SMILES Fc1cc(cc(c1)C#Cc1ccccn1)C#N
Show InChI InChI=1S/C14H7FN2/c15-13-8-11(7-12(9-13)10-16)4-5-14-3-1-2-6-17-14/h1-3,6-9H
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50181745(3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3
Affinity DataKi:  0.25nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat brain membranesMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50336827(3-[(2-Aminothiazol)-4-ethynyl]-5-fluorobenzonitril...)
Show SMILES Nc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H6FN3S/c13-10-4-8(3-9(5-10)6-14)1-2-11-7-17-12(15)16-11/h3-5,7H,(H2,15,16)
Affinity DataKi:  0.25nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat brainMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50336830(3-((2-Chlorothiazol)-4-yl)ethynyl)benzonitrile | C...)
Show SMILES Clc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C12H5ClN2S/c13-12-15-11(8-16-12)5-4-9-2-1-3-10(6-9)7-14/h1-3,6,8H
Affinity DataKi:  0.270nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat brainMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50336843(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
Affinity DataKi:  0.280nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat brainMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50084137(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
Affinity DataKi:  0.300nMMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105801(CHEMBL3597596)
Show SMILES Cc1cccc(n1)C#CC=C1CCN(CC1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-6-4-8-18(21-16)9-5-7-17-12-14-22(15-13-17)19-10-2-3-11-20(19)23(24)25/h2-4,6-8,10-11H,12-15H2,1H3
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50345555(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-nitrofluorob...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H7FN2O2S/c1-8-14-11(7-18-8)3-2-9-4-10(13)6-12(5-9)15(16)17/h4-7H,1H3
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105802(CHEMBL3597597)
Show SMILES Cc1cccc(c1)C#CC=C1CCN(CC1)c1ncccc1[N+]([O-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-5-2-7-18(15-16)8-3-6-17-10-13-22(14-11-17)20-19(23(24)25)9-4-12-21-20/h2,4-7,9,12,15H,10-11,13-14H2,1H3
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105805(CHEMBL3597600)
Show SMILES Cc1ccc(c(n1)N1CCC(CC1)=CC#Cc1ccc(cn1)C#N)[N+]([O-])=O
Show InChI InChI=1S/C20H17N5O2/c1-15-5-8-19(25(26)27)20(23-15)24-11-9-16(10-12-24)3-2-4-18-7-6-17(13-21)14-22-18/h3,5-8,14H,9-12H2,1H3
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105833(CHEMBL3597593)
Show SMILES [O-][N+](=O)c1cccnc1N1CCC(CC1)=CC#Cc1ccccn1
Show InChI InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50345550(3-(2-(2-Methylthiazol-4-yl)ethynyl)-5-nitrobenzoni...)
Show SMILES Cc1nc(cs1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N
Show InChI InChI=1S/C13H7N3O2S/c1-9-15-12(8-19-9)3-2-10-4-11(7-14)6-13(5-10)16(17)18/h4-6,8H,1H3
Affinity DataKi:  0.360nMAssay Description:Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50258612(3-Fluoro-5-cyano-1-(2-methylthiazol-4-ylethynyl)be...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C13H7FN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3
Affinity DataKi:  0.360nMAssay Description:Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50181745(3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3
Affinity DataKi:  0.370nMAssay Description:Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cellsMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105837(CHEMBL3597585)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H17N3O3/c23-19(11-10-16-6-2-1-3-7-16)21-14-12-20(13-15-21)17-8-4-5-9-18(17)22(24)25/h1-9H,12-15H2
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105832(CHEMBL3597592)
Show SMILES [O-][N+](=O)c1cccnc1N1CCC(CC1)=CC#Cc1ccccc1
Show InChI InChI=1S/C19H17N3O2/c23-22(24)18-10-5-13-20-19(18)21-14-11-17(12-15-21)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-10,13H,11-12,14-15H2
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105805(CHEMBL3597600)
Show SMILES Cc1ccc(c(n1)N1CCC(CC1)=CC#Cc1ccc(cn1)C#N)[N+]([O-])=O
Show InChI InChI=1S/C20H17N5O2/c1-15-5-8-19(25(26)27)20(23-15)24-11-9-16(10-12-24)3-2-4-18-7-6-17(13-21)14-22-18/h3,5-8,14H,9-12H2,1H3
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105803(CHEMBL3597598)
Show SMILES [O-][N+](=O)c1cccnc1N1CCC(CC1)=CC#Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c20-17-7-2-6-16(14-17)5-1-4-15-9-12-22(13-10-15)19-18(23(24)25)8-3-11-21-19/h2-4,6-8,11,14H,9-10,12-13H2
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50336831(3-((2-Chlorothiazol)-4-yl)ethynyl)-5-fluorobenzoni...)
Show SMILES Fc1cc(cc(c1)C#Cc1csc(Cl)n1)C#N
Show InChI InChI=1S/C12H4ClFN2S/c13-12-16-11(7-17-12)2-1-8-3-9(6-15)5-10(14)4-8/h3-5,7H
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat brainMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105802(CHEMBL3597597)
Show SMILES Cc1cccc(c1)C#CC=C1CCN(CC1)c1ncccc1[N+]([O-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-5-2-7-18(15-16)8-3-6-17-10-13-22(14-11-17)20-19(23(24)25)9-4-12-21-20/h2,4-7,9,12,15H,10-11,13-14H2,1H3
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105834(CHEMBL3597594)
Show SMILES Cc1cccc(n1)C#CC=C1CCN(CC1)c1ncccc1[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105803(CHEMBL3597598)
Show SMILES [O-][N+](=O)c1cccnc1N1CCC(CC1)=CC#Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c20-17-7-2-6-16(14-17)5-1-4-15-9-12-22(13-10-15)19-18(23(24)25)8-3-11-21-19/h2-4,6-8,11,14H,9-10,12-13H2
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105834(CHEMBL3597594)
Show SMILES Cc1cccc(n1)C#CC=C1CCN(CC1)c1ncccc1[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysisMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105806(CHEMBL3597602)
Show SMILES Cc1cccc(n1)C#CC=C1CCN(CC1)c1ncc(cc1C#N)-c1ccccc1
Show InChI InChI=1S/C26H22N4/c1-20-7-5-11-25(29-20)12-6-8-21-13-15-30(16-14-21)26-23(18-27)17-24(19-28-26)22-9-3-2-4-10-22/h2-5,7-11,17,19H,13-16H2,1H3
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105834(CHEMBL3597594)
Show SMILES Cc1cccc(n1)C#CC=C1CCN(CC1)c1ncccc1[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysisMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105831(CHEMBL3597584)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C18H16N4O3/c23-17(9-8-15-5-2-1-3-6-15)20-11-13-21(14-12-20)18-16(22(24)25)7-4-10-19-18/h1-7,10H,11-14H2
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50113468(CHEMBL3603915 | US10246432, Example 15 | US1058411...)
Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H
Affinity DataKi:  0.501nMAssay Description:Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50113468(CHEMBL3603915 | US10246432, Example 15 | US1058411...)
Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H
Affinity DataKi:  0.501nMAssay Description:After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50113468(CHEMBL3603915 | US10246432, Example 15 | US1058411...)
Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H
Affinity DataKi:  0.501nMAssay Description:Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysisMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
Affinity DataKi:  0.501nMAssay Description:Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysisMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
Affinity DataKi:  0.537nMAssay Description:Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
Affinity DataKi:  0.537nMAssay Description:After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105831(CHEMBL3597584)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C18H16N4O3/c23-17(9-8-15-5-2-1-3-6-15)20-11-13-21(14-12-20)18-16(22(24)25)7-4-10-19-18/h1-7,10H,11-14H2
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM109106(US8609852, 13)
Show SMILES Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1C
Show InChI InChI=1S/C17H13N3S/c1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15/h3-6,9-11H,1-2H3
Affinity DataKi:  0.600nM ΔG°:  -52.6kJ/moleT: 2°CAssay Description:Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50536712(CHEMBL4571075)
Show SMILES Clc1ccccc1[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM109106(US8609852, 13)
Show SMILES Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1C
Show InChI InChI=1S/C17H13N3S/c1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15/h3-6,9-11H,1-2H3
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]methoxymethyl-3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine from mGlu5R in rat brain membranesMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50105832(CHEMBL3597592)
Show SMILES [O-][N+](=O)c1cccnc1N1CCC(CC1)=CC#Cc1ccccc1
Show InChI InChI=1S/C19H17N3O2/c23-22(24)18-10-5-13-20-19(18)21-14-11-17(12-15-21)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-10,13H,11-12,14-15H2
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50113477(CHEMBL3603924 | US10246432, Example 3 | US10584111...)
Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C17H8ClN5/c18-14-4-12(8-20)3-13(5-14)16-6-17(23-10-22-16)15-2-1-11(7-19)9-21-15/h1-6,9-10H
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysisMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM571410(US11440922, Example 27 | ethyl (4E)-4-[3-(3- cyano...)
Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(c2)C#N)C(C)(C)C1
Show InChI InChI=1S/C20H22N2O2/c1-4-24-19(23)22-12-11-18(20(2,3)15-22)10-6-8-16-7-5-9-17(13-16)14-21/h5,7,9-10,13H,4,11-12,15H2,1-3H3/b18-10+
Affinity DataKi:  0.640nMAssay Description:Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50172117(2-Cyclohex-1-enylethynyl-pyridine | CHEMBL196643)
Show SMILES C1CCC(=CC1)C#Cc1ccccn1
Show InChI InChI=1S/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h4-6,8,11H,1-3,7H2
Affinity DataKi:  0.650nMAssay Description:Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membraneMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM109136(US8609852, 43)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H11ClN2S/c1-12-20-17(11-21-12)6-5-13-7-15(10-19-9-13)14-3-2-4-16(18)8-14/h2-4,7-11H,1H3
Affinity DataKi:  0.650nM ΔG°:  -52.4kJ/moleT: 2°CAssay Description:Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM109136(US8609852, 43)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H11ClN2S/c1-12-20-17(11-21-12)6-5-13-7-15(10-19-9-13)14-3-2-4-16(18)8-14/h2-4,7-11H,1H3
Affinity DataKi:  0.650nMAssay Description:Displacement of [3H]methoxymethyl-3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine from mGlu5R in rat brain membranesMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50345562(3-(2-(6-methylpyridin-2-yl)ethynyl)-5-fluorobenzon...)
Show SMILES Cc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C15H9FN2/c1-11-3-2-4-15(18-11)6-5-12-7-13(10-17)9-14(16)8-12/h2-4,7-9H,1H3
Affinity DataKi:  0.670nMAssay Description:Displacement of [3H]MPEP from mGluR5 in Sprague-Dawley rat brain membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
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