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Found 2234 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50105834
PNG
(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
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0.0300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50215552
PNG
(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
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0.0360n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50258612
PNG
(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
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0.0800n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50105833
PNG
(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
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0.100n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50345553
PNG
(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
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0.106n/an/an/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50345552
PNG
(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
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0.127n/an/an/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50345572
PNG
(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
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0.200n/an/an/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50105801
PNG
(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
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0.200n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50336827
PNG
(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)
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0.25n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50181745
PNG
(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
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0.25n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50336830
PNG
(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
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0.270n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50336843
PNG
(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
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0.280n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50345555
PNG
(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
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0.300n/an/an/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50258612
PNG
(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
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0.360n/an/an/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50345550
PNG
(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
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0.360n/an/an/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50105802
PNG
(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
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50336831
PNG
(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
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0.400n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50105805
PNG
(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
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50105803
PNG
(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
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109106
PNG
(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
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US Patent
0.600n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50105832
PNG
(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
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0.600n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50105831
PNG
(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
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0.600n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109136
PNG
(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
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0.650n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50172117
PNG
(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
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0.650n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50345562
PNG
(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
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0.670n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MPEP from mGluR5 in Sprague-Dawley rat brain membrane after 60 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50345558
PNG
(3-(2-(2-methylthiazol-4-yl)ethynyl)-1,5-dibromoben...)
Show SMILES Cc1nc(cs1)C#Cc1cc(Br)cc(Br)c1
Show InChI InChI=1S/C12H7Br2NS/c1-8-15-12(7-16-8)3-2-9-4-10(13)6-11(14)5-9/h4-7H,1H3
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0.690n/an/an/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109101
PNG
(US8609852, 7)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1Cl
Show InChI InChI=1S/C17H11ClN2S/c1-12-20-14(11-21-12)8-6-13-7-9-17(19-10-13)15-4-2-3-5-16(15)18/h2-5,7,9-11H,1H3
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50181753
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1
Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3
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0.710n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109157
PNG
(US8609852, 64)
Show SMILES CSc1ccccc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1
Show InChI InChI=1S/C18H14N2S2/c1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2/h3-6,8,10-12H,1-2H3/p+1
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50172136
PNG
(4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...)
Show SMILES O=C(OCc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1
Show InChI InChI=1S/C20H18N2O2/c23-20(24-16-18-6-2-1-3-7-18)22-14-11-17(12-15-22)9-10-19-8-4-5-13-21-19/h1-8,11,13H,12,14-16H2
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0.830n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109102
PNG
(US8609852, 8)
Show SMILES COc1ccccc1-c1ccc(cn1)C#Cc1csc(C)n1
Show InChI InChI=1S/C18H14N2OS/c1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2/h3-6,8,10-12H,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50336826
PNG
(3-[(2-Aminothiazol)-4-ethynyl]benzonitrile | CHEMB...)
Show SMILES Nc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C12H7N3S/c13-7-10-3-1-2-9(6-10)4-5-11-8-16-12(14)15-11/h1-3,6,8H,(H2,14,15)
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0.900n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109121
PNG
(US8609852, 28)
Show SMILES Cc1nc(cs1)C#Cc1ccc(SC(C)(C)C)nc1
Show InChI InChI=1S/C15H16N2S2/c1-11-17-13(10-18-11)7-5-12-6-8-14(16-9-12)19-15(2,3)4/h6,8-10H,1-4H3
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0.900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109115
PNG
(US8609852, 117 | US8609852, 34)
Show SMILES Cc1[nH+]c(cs1)C#Cc1cnc(NC(C)(C)C)nc1
Show InChI InChI=1S/C14H16N4S/c1-10-17-12(9-19-10)6-5-11-7-15-13(16-8-11)18-14(2,3)4/h7-9H,1-4H3,(H,15,16,18)/p+1
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0.900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50345551
PNG
(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-nitrobromobe...)
Show SMILES Cc1nc(cs1)C#Cc1cc(Br)cc(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H7BrN2O2S/c1-8-14-11(7-18-8)3-2-9-4-10(13)6-12(5-9)15(16)17/h4-7H,1H3
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0.930n/an/an/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50336835
PNG
(3-((2-Bromothiazol)-4-ethynyl)-5-fluorobenzonitril...)
Show SMILES Fc1cc(cc(c1)C#Cc1csc(Br)n1)C#N
Show InChI InChI=1S/C12H4BrFN2S/c13-12-16-11(7-17-12)2-1-8-3-9(6-15)5-10(14)4-8/h3-5,7H
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0.950n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109099
PNG
(US8609852, 5)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1C
Show InChI InChI=1S/C18H14N2S/c1-13-5-3-4-6-17(13)18-10-8-15(11-19-18)7-9-16-12-21-14(2)20-16/h3-6,8,10-12H,1-2H3
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50149792
PNG
(5-(2-Methyl-thiazol-4-ylethynyl)-[3,3'']bipyridiny...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccnc1
Show InChI InChI=1S/C16H11N3S/c1-12-19-16(11-20-12)5-4-13-7-15(10-18-8-13)14-3-2-6-17-9-14/h2-3,6-11H,1H3
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement by compound of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109176
PNG
(US8609852, 85)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H11N3S/c1-13-21-18(12-22-13)6-5-15-8-17(11-20-10-15)16-4-2-3-14(7-16)9-19/h2-4,7-8,10-12H,1H3
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109120
PNG
(US8609852, 27)
Show SMILES Cc1nc(cs1)C#Cc1ccc(OC(C)(C)C)nc1
Show InChI InChI=1S/C15H16N2OS/c1-11-17-13(10-19-11)7-5-12-6-8-14(16-9-12)18-15(2,3)4/h6,8-10H,1-4H3
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109182
PNG
(US8609852, 91)
Show SMILES Cc1[nH+]c(cs1)C#Cc1cncc(Oc2cccnc2)c1
Show InChI InChI=1S/C16H11N3OS/c1-12-19-14(11-21-12)5-4-13-7-16(10-18-8-13)20-15-3-2-6-17-9-15/h2-3,6-11H,1H3/p+1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109115
PNG
(US8609852, 117 | US8609852, 34)
Show SMILES Cc1[nH+]c(cs1)C#Cc1cnc(NC(C)(C)C)nc1
Show InChI InChI=1S/C14H16N4S/c1-10-17-12(9-19-10)6-5-11-7-15-13(16-8-11)18-14(2,3)4/h7-9H,1-4H3,(H,15,16,18)/p+1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50160632
PNG
(3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3
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1.04n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MPEP from mGluR5 in Sprague-Dawley rat brain membrane after 60 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50345557
PNG
(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-bromofluorob...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(Br)c1
Show InChI InChI=1S/C12H7BrFNS/c1-8-15-12(7-16-8)3-2-9-4-10(13)6-11(14)5-9/h4-7H,1H3
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1.06n/an/an/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50066519
PNG
(CHEMBL3403102)
Show SMILES Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccccc1F)C#N
Show InChI InChI=1S/C20H10F2N2O2S2/c21-13-8-12(11-23)9-14(10-13)28(25,26)20-18(15-4-1-2-6-17(15)22)16-5-3-7-24-19(16)27-20/h1-10H
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1.10n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109105
PNG
(US8609852, 12)
Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cc(F)ccc1C
Show InChI InChI=1S/C18H13FN2S/c1-12-3-6-15(19)9-17(12)18-8-5-14(10-20-18)4-7-16-11-22-13(2)21-16/h3,5-6,8-11H,1-2H3/p+1
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US Patent
1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50172123
PNG
(3-Chloro-5-(3-pyridin-2-ylethynyl-cyclohex-2-enylo...)
Show SMILES Clc1cncc(OC2CCCC(=C2)C#Cc2ccccn2)c1
Show InChI InChI=1S/C18H15ClN2O/c19-15-11-18(13-20-12-15)22-17-6-3-4-14(10-17)7-8-16-5-1-2-9-21-16/h1-2,5,9-13,17H,3-4,6H2
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Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM109100
PNG
(US8609852, 6)
Show SMILES COc1ccc(F)cc1-c1ccc(cn1)C#Cc1csc(C)n1
Show InChI InChI=1S/C18H13FN2OS/c1-12-21-15(11-23-12)6-3-13-4-7-17(20-10-13)16-9-14(19)5-8-18(16)22-2/h4-5,7-11H,1-2H3
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US Patent
1.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay 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...


US Patent US8609852 (2013)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50420361
PNG
(CHEMBL2089181)
Show SMILES COc1cc(cc(c1)C#Cc1cccc(C)n1)C#N
Show InChI InChI=1S/C16H12N2O/c1-12-4-3-5-15(18-12)7-6-13-8-14(11-17)10-16(9-13)19-2/h3-5,8-10H,1-2H3
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1.29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MPEP from mGluR5 in Sprague-Dawley rat brain membrane after 60 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Rattus norvegicus (Rat))
BDBM50160632
PNG
(3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3
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1.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat brain recombinant mGluR5 expressed in HEK293T cells by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
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