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Compile Data Set for Download or QSAR

Found 3365 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' AND taxid = 9606   
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)


(Homo sapiens (Human))
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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PubMed
0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
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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PubMed
0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
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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0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
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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0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
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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0.370n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells


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


(Homo sapiens (Human))
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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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
BDBM50105837
PNG
(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
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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 human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
BDBM50105806
PNG
(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
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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
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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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
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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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
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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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
BDBM50113476
PNG
(CHEMBL3603923)
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
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0.501n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50113468
PNG
(CHEMBL3603915)
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
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0.501n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50113477
PNG
(CHEMBL3603924)
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
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0.631n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

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


(Homo sapiens (Human))
BDBM50113479
PNG
(CHEMBL3603926)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(Cl)c1F)C#N
Show InChI InChI=1S/C16H7ClF2N4/c17-12-4-9(6-20)3-11(16(12)19)14-5-15(23-8-22-14)13-2-1-10(18)7-21-13/h1-5,7-8H
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0.794n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

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


(Homo sapiens (Human))
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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0.900n/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 cloned mGluR5 (unknown origin) expressed in HEK293T cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50448144
PNG
(CHEMBL3122212)
Show SMILES Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C18H16N6O/c1-12-6-8-19-9-14(12)16-17-18(24(2)23-16)22-15(10-21-17)25-11-13-5-3-4-7-20-13/h3-10H,11H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50181073
PNG
(2-(3-chloro-benzyloxy)-6-methyl-isonicotinonitrile...)
Show SMILES Cc1cc(cc(OCc2cccc(Cl)c2)n1)C#N
Show InChI InChI=1S/C14H11ClN2O/c1-10-5-12(8-16)7-14(17-10)18-9-11-3-2-4-13(15)6-11/h2-7H,9H2,1H3
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1n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


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


(Homo sapiens (Human))
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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1.00n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells


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


(Homo sapiens (Human))
BDBM50113473
PNG
(CHEMBL3603920)
Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-c1ccccn1)C#N
Show InChI InChI=1S/C16H8ClFN4/c17-12-6-10(8-19)5-11(16(12)18)14-7-15(22-9-21-14)13-3-1-2-4-20-13/h1-7,9H
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1.30n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

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


(Homo sapiens (Human))
BDBM50448157
PNG
(CHEMBL3122215)
Show SMILES Cc1c(Cl)cncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C18H15ClN6O/c1-11-13(7-20-8-14(11)19)16-17-18(25(2)24-16)23-15(9-22-17)26-10-12-5-3-4-6-21-12/h3-9H,10H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26)
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PubMed
1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)

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


(Homo sapiens (Human))
BDBM50113475
PNG
(CHEMBL3603922)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(c1)C#N)C#N
Show InChI InChI=1S/C17H8FN5/c18-14-1-2-15(21-9-14)17-6-16(22-10-23-17)13-4-11(7-19)3-12(5-13)8-20/h1-6,9-10H
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1.60n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

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


(Homo sapiens (Human))
BDBM50113478
PNG
(CHEMBL3603925)
Show SMILES Clc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C16H8Cl2N4/c17-12-1-2-14(20-8-12)16-6-15(21-9-22-16)11-3-10(7-19)4-13(18)5-11/h1-6,8-9H
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1.60n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)

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


(Homo sapiens (Human))
BDBM50198702
PNG
((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...)
Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
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1.70n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells


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


(Homo sapiens (Human))
BDBM50448161
PNG
(CHEMBL3122210)
Show SMILES Cn1nc(-c2cccnc2)c2ncc(OCc3ccccn3)nc12
Show InChI InChI=1S/C17H14N6O/c1-23-17-16(15(22-23)12-5-4-7-18-9-12)20-10-14(21-17)24-11-13-6-2-3-8-19-13/h2-10H,11H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50336921
PNG
(3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...)
Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)
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2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from human recombinant mGlu5 receptor


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


(Homo sapiens (Human))
BDBM50113474
PNG
(CHEMBL3603921)
Show SMILES Cc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C17H11ClN4/c1-11-2-3-15(20-9-11)17-7-16(21-10-22-17)13-4-12(8-19)5-14(18)6-13/h2-7,9-10H,1H3
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2.5n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

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


(Homo sapiens (Human))
BDBM50258611
PNG
(1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylet...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(c1)-c1cccnc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-17(11-21-12)5-4-13-7-15(9-16(18)8-13)14-3-2-6-19-10-14/h2-3,6-11H,1H3
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2.70n/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 cloned mGluR5 (unknown origin) expressed in HEK293T cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50448159
PNG
(CHEMBL3122213)
Show SMILES Cn1nc(-c2cnccc2C(F)(F)F)c2ncc(OCc3ccccn3)nc12
Show InChI InChI=1S/C18H13F3N6O/c1-27-17-16(15(26-27)12-8-22-7-5-13(12)18(19,20)21)24-9-14(25-17)28-10-11-4-2-3-6-23-11/h2-9H,10H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


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


(Homo sapiens (Human))
BDBM196506
PNG
(US9212165, 3)
Show SMILES Fc1cccc(c1)C#CC12CCC(C1)(CCC2)NC(=O)c1cnccn1
Show InChI InChI=1/C21H20FN3O/c22-17-4-1-3-16(13-17)5-8-20-6-2-7-21(15-20,10-9-20)25-19(26)18-14-23-11-12-24-18/h1,3-4,11-14H,2,6-7,9-10,15H2,(H,25,26)
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US Patent
3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)

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


(Homo sapiens (Human))
BDBM50113472
PNG
(CHEMBL3603919)
Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
Show InChI InChI=1S/C16H9ClN4/c17-13-6-11(9-18)5-12(7-13)15-8-16(21-10-20-15)14-3-1-2-4-19-14/h1-8,10H
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3.20n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

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


(Homo sapiens (Human))
BDBM50084137
PNG
(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
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3.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation counting


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


(Homo sapiens (Human))
BDBM50084137
PNG
(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
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3.5n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 StaR domain (569 to 836 residues) (unknown origin) expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 484-94 (2016)

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


(Homo sapiens (Human))
BDBM50198702
PNG
((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...)
Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
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3.5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from human mGluR5 receptor expressed in L (tk-) cells


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


(Homo sapiens (Human))
BDBM50113466
PNG
(CHEMBL3603913)
Show SMILES Cc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C15H11N5/c1-11-5-12(9-16)7-13(6-11)14-8-15(18-10-17-14)20-4-2-3-19-20/h2-8,10H,1H3
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4n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

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


(Homo sapiens (Human))
BDBM50113467
PNG
(CHEMBL3603914)
Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H
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4n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

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


(Homo sapiens (Human))
BDBM196508
PNG
(US9212165, 16)
Show SMILES O=C(N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1
Show InChI InChI=1/C21H21N3O/c25-19(18-7-2-4-15-23-18)24-21-10-5-9-20(16-21,12-13-21)11-8-17-6-1-3-14-22-17/h1-4,6-7,14-15H,5,9-10,12-13,16H2,(H,24,25)/t20-,21+/s2
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4.5n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)

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


(Homo sapiens (Human))
BDBM196528
PNG
(US9212165, 71)
Show SMILES O=C(NC12CC3CC(C1)CC(C3)(C2)C#Cc1ccccn1)c1cnccn1
Show InChI InChI=1/C22H22N4O/c27-20(19-14-23-7-8-25-19)26-22-12-16-9-17(13-22)11-21(10-16,15-22)5-4-18-3-1-2-6-24-18/h1-3,6-8,14,16-17H,9-13,15H2,(H,26,27)
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4.70n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)

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


(Homo sapiens (Human))
BDBM50149805
PNG
(2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1
Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3
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4.70n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells 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)


(Homo sapiens (Human))
BDBM50181066
PNG
(2-(3-(3-chlorobenzyloxy)-5-methylphenyl)isoindolin...)
Show SMILES Cc1cc(OCc2cccc(Cl)c2)cc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H16ClNO3/c1-14-9-17(24-21(25)19-7-2-3-8-20(19)22(24)26)12-18(10-14)27-13-15-5-4-6-16(23)11-15/h2-12H,13H2,1H3
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4.70n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


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


(Homo sapiens (Human))
BDBM50448149
PNG
(CHEMBL3122224)
Show SMILES CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12
Show InChI InChI=1S/C18H21N5O2/c1-4-23(5-2)18(24)16-14-9-10-15(20-17(14)22(3)21-16)25-12-13-8-6-7-11-19-13/h6-11H,4-5,12H2,1-3H3
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4.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50181075
PNG
(2-(3-chlorobenzyloxy)-6-chloroisonicotinonitrile |...)
Show SMILES Clc1cccc(COc2cc(cc(Cl)n2)C#N)c1
Show InChI InChI=1S/C13H8Cl2N2O/c14-11-3-1-2-9(4-11)8-18-13-6-10(7-16)5-12(15)17-13/h1-6H,8H2
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5n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


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


(Homo sapiens (Human))
BDBM50113481
PNG
(CHEMBL3603928)
Show SMILES N#Cc1cccc(c1)-c1cc(ncn1)-c1ccncn1
Show InChI InChI=1S/C15H9N5/c16-8-11-2-1-3-12(6-11)14-7-15(20-10-19-14)13-4-5-17-9-18-13/h1-7,9-10H
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5n/an/an/an/an/an/an/an/a



Heptares Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis


J Med Chem 58: 6653-64 (2015)

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


(Homo sapiens (Human))
BDBM50448163
PNG
(CHEMBL3122208)
Show SMILES Cn1nc(-c2ccccn2)c2ccc(OCc3ccccn3)nc12
Show InChI InChI=1S/C18H15N5O/c1-23-18-14(17(22-23)15-7-3-5-11-20-15)8-9-16(21-18)24-12-13-6-2-4-10-19-13/h2-11H,12H2,1H3
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50149801
PNG
(2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine | ...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C17H12N2S/c1-13-19-16(12-20-13)9-7-14-8-10-17(18-11-14)15-5-3-2-4-6-15/h2-6,8,10-12H,1H3
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5.5n/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 cloned mGluR5 (unknown origin) expressed in HEK293T cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50443085
PNG
(AFQ056 | MAVOGLURANT | Mavoglurant)
Show SMILES COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1
Show InChI InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 StaR domain (569 to 836 residues) (unknown origin) expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 484-94 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50149805
PNG
(2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1
Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3
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5.70n/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 cloned mGluR5 (unknown origin) expressed in HEK293T cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50181076
PNG
(3-((3-(1,3-dioxoisoindolin-2-yl)-5-methylphenoxy)m...)
Show SMILES Cc1cc(OCc2cccc(c2)C#N)cc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c1-15-9-18(25-22(26)20-7-2-3-8-21(20)23(25)27)12-19(10-15)28-14-17-6-4-5-16(11-17)13-24/h2-12H,14H2,1H3
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6n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Citation and Details
More data for this
Ligand-Target Pair
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