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PubMed code 16722652

Compile data set for download or QSAR
Found 95 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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


(Rattus norvegicus (Rat))		BDBM50187625
PNG
(4-nitro-N-(1-(2-chlorophenyl)-3-phenyl-1H-pyrazol-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1Cl)-c1ccccc1
Show InChI InChI=1S/C22H15ClN4O3/c23-18-8-4-5-9-20(18)26-21(14-19(25-26)15-6-2-1-3-7-15)24-22(28)16-10-12-17(13-11-16)27(29)30/h1-14H,(H,24,28)
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 110n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187631
PNG
(4-nitro-N-(1-(2-bromophenyl)-3-phenyl-1H-pyrazol-5...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1Br)-c1ccccc1
Show InChI InChI=1S/C22H15BrN4O3/c23-18-8-4-5-9-20(18)26-21(14-19(25-26)15-6-2-1-3-7-15)24-22(28)16-10-12-17(13-11-16)27(29)30/h1-14H,(H,24,28)
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 120n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187616
PNG
(3,4-dichloro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benza...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H15Cl2N3O/c23-18-12-11-16(13-19(18)24)22(28)25-21-14-20(15-7-3-1-4-8-15)26-27(21)17-9-5-2-6-10-17/h1-14H,(H,25,28)
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 160n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187644
PNG
(4-nitro-N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1F)-c1ccccc1
Show InChI InChI=1S/C22H15FN4O3/c23-18-8-4-5-9-20(18)26-21(14-19(25-26)15-6-2-1-3-7-15)24-22(28)16-10-12-17(13-11-16)27(29)30/h1-14H,(H,24,28)
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 160n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187617
PNG
(3-nitro-N-(1-(2-bromophenyl)-3-phenyl-1H-pyrazol-5...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1Br)-c1ccccc1
Show InChI InChI=1S/C22H15BrN4O3/c23-18-11-4-5-12-20(18)26-21(14-19(25-26)15-7-2-1-3-8-15)24-22(28)16-9-6-10-17(13-16)27(29)30/h1-14H,(H,24,28)
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 230n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187629
PNG
(3-cyano-N-(1-(2-bromophenyl)-3-phenyl-1H-pyrazol-5...)
Show SMILES Brc1ccccc1-n1nc(cc1NC(=O)c1cccc(c1)C#N)-c1ccccc1
Show InChI InChI=1S/C23H15BrN4O/c24-19-11-4-5-12-21(19)28-22(14-20(27-28)17-8-2-1-3-9-17)26-23(29)18-10-6-7-16(13-18)15-25/h1-14H,(H,26,29)
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 230n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187615
PNG
(4-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)
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 250n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187636
PNG
(4-trifluoromethoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl...)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H16F3N3O2/c24-23(25,26)31-19-13-11-17(12-14-19)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)18-9-5-2-6-10-18/h1-15H,(H,27,30)
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 265n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187639
PNG
(4-methoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamid...)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-12-18(13-15-20)23(27)24-22-16-21(17-8-4-2-5-9-17)25-26(22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)
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 420n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187633
PNG
(3,4-dimethyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benza...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H21N3O/c1-17-13-14-20(15-18(17)2)24(28)25-23-16-22(19-9-5-3-6-10-19)26-27(23)21-11-7-4-8-12-21/h3-16H,1-2H3,(H,25,28)
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 430n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187621
PNG
(CHEMBL377307 | N-(1-(2-chlorophenyl)-3-phenyl-1H-p...)
Show SMILES Clc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27)
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 500n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50156069
PNG
(CHEMBL365409 | N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O/c1-17-12-14-19(15-13-17)23(27)24-22-16-21(18-8-4-2-5-9-18)25-26(22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
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 780n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50156068
PNG
(CHEMBL190326 | N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H16F3N3O/c24-23(25,26)18-13-11-17(12-14-18)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)19-9-5-2-6-10-19/h1-15H,(H,27,30)
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 990n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187652
PNG
(CHEMBL206574 | N-(1,4-diphenyl-1H-pyrazol-5-yl)ben...)
Show SMILES O=C(Nc1c(cnn1-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17N3O/c26-22(18-12-6-2-7-13-18)24-21-20(17-10-4-1-5-11-17)16-23-25(21)19-14-8-3-9-15-19/h1-16H,(H,24,26)
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 1.17E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187648
PNG
(3-cyano-N-(1,4-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES O=C(Nc1c(cnn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H16N4O/c24-15-17-8-7-11-19(14-17)23(28)26-22-21(18-9-3-1-4-10-18)16-25-27(22)20-12-5-2-6-13-20/h1-14,16H,(H,26,28)
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 1.20E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187635
PNG
(3-methoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamid...)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-8-11-18(15-20)23(27)24-22-16-21(17-9-4-2-5-10-17)25-26(22)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27)
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 1.29E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187632
PNG
(4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N4O/c24-16-17-11-13-19(14-12-17)23(28)25-22-15-21(18-7-3-1-4-8-18)26-27(22)20-9-5-2-6-10-20/h1-15H,(H,25,28)
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 1.56E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187614
PNG
(3-trifluoromethyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H16F3N3O/c24-23(25,26)18-11-7-10-17(14-18)22(30)27-21-15-20(16-8-3-1-4-9-16)28-29(21)19-12-5-2-6-13-19/h1-15H,(H,27,30)
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 1.65E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187641
PNG
(CHEMBL209183 | N-(4-nitrocinnamoyl)-1,3-diphenyl-5...)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)Nc2cc(nn2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H18N4O3/c29-24(16-13-18-11-14-21(15-12-18)28(30)31)25-23-17-22(19-7-3-1-4-8-19)26-27(23)20-9-5-2-6-10-20/h1-17H,(H,25,29)/b16-13+
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 1.81E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187611
PNG
(3-cyano-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benz...)
Show SMILES O=C(Nc1c(nc2ccccn12)-c1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H14N4O/c22-14-15-7-6-10-17(13-15)21(26)24-20-19(16-8-2-1-3-9-16)23-18-11-4-5-12-25(18)20/h1-13H,(H,24,26)
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 1.99E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187630
PNG
(CHEMBL208090 | N-(1-(3-methoxyphenyl)-3-phenyl-1H-...)
Show SMILES COc1cccc(c1)-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-8-13-19(15-20)26-22(24-23(27)18-11-6-3-7-12-18)16-21(25-26)17-9-4-2-5-10-17/h2-16H,1H3,(H,24,27)
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 2.10E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187650
PNG
(3-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(17-10-7-13-19(14-17)26(28)29)23-21-15-20(16-8-3-1-4-9-16)24-25(21)18-11-5-2-6-12-18/h1-15H,(H,23,27)
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 2.22E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187640
PNG
(CHEMBL207475 | N-(1-(2-bromophenyl)-3-phenyl)-1H-p...)
Show SMILES Brc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16BrN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27)
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 2.60E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187619
PNG
(CHEMBL378129 | N-(1-(2-fluorophenyl)-3-phenyl-1H-p...)
Show SMILES Fc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16FN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27)
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 2.70E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187638
PNG
(CHEMBL209185 | N,N-bis(4-cyanobenzoyl)-1,3-dipheny...)
Show SMILES O=C(N(C(=O)c1ccc(cc1)C#N)c1cc(nn1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H19N5O2/c32-20-22-11-15-25(16-12-22)30(37)35(31(38)26-17-13-23(21-33)14-18-26)29-19-28(24-7-3-1-4-8-24)34-36(29)27-9-5-2-6-10-27/h1-19H
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 3.05E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187627
PNG
(CHEMBL445149 | N-(1-phenyl-3-(3-methoxyphenyl)-1H-...)
Show SMILES COc1cccc(c1)-c1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-8-11-18(15-20)21-16-22(24-23(27)17-9-4-2-5-10-17)26(25-21)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27)
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 3.20E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187626
PNG
(CHEMBL208899 | N-(6-methyl-3-pyridinoyl)-1,3-diphe...)
Show SMILES Cc1ccc(cn1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-16-12-13-18(15-23-16)22(27)24-21-14-20(17-8-4-2-5-9-17)25-26(21)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,27)
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 3.48E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50156071
PNG
(3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)
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 3.76E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187634
PNG
(CHEMBL379553 | N-(2-phenylimidazo[1,2-a]pyridin-3-...)
Show SMILES O=C(Nc1c(nc2ccccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-20(16-11-5-2-6-12-16)22-19-18(15-9-3-1-4-10-15)21-17-13-7-8-14-23(17)19/h1-14H,(H,22,24)
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 3.92E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50156065
PNG
(CHEMBL191039 | N-(1,3-diphenyl-1H-pyrazol-5-yl)ben...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17N3O/c26-22(18-12-6-2-7-13-18)23-21-16-20(17-10-4-1-5-11-17)24-25(21)19-14-8-3-9-15-19/h1-16H,(H,23,26)
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 4.18E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187623
PNG
(CHEMBL378841 | N-cyclohex-1-enecarboxyl-1,3-diphen...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1=CCCCC1 |t:23|
Show InChI InChI=1S/C22H21N3O/c26-22(18-12-6-2-7-13-18)23-21-16-20(17-10-4-1-5-11-17)24-25(21)19-14-8-3-9-15-19/h1,3-5,8-12,14-16H,2,6-7,13H2,(H,23,26)
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 4.47E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187622
PNG
((5-(4-cyanobenzoyl)imino-2-(4-cyanobenzoyl)-1,3-di...)
Show SMILES O=C(\N=c1/cc(-c2ccccc2)n(C(=O)c2ccc(cc2)C#N)n1-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H19N5O2/c32-20-22-11-15-25(16-12-22)30(37)34-29-19-28(24-7-3-1-4-8-24)36(35(29)27-9-5-2-6-10-27)31(38)26-17-13-23(21-33)14-18-26/h1-19H/b34-29+
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 5.23E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187613
PNG
(5-(4-phenyl-1,2,3-triazol-1-yl)-1,3-diphenyl-1H-py...)
Show SMILES c1c(nn(c1-n1cc(nn1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H17N5/c1-4-10-18(11-5-1)21-16-23(28(25-21)20-14-8-3-9-15-20)27-17-22(24-26-27)19-12-6-2-7-13-19/h1-17H
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 5.88E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187624
PNG
(CHEMBL208633 | N-isonicotinoyl-1,3-diphenyl-5-amin...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H16N4O/c26-21(17-11-13-22-14-12-17)23-20-15-19(16-7-3-1-4-8-16)24-25(20)18-9-5-2-6-10-18/h1-15H,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187647
PNG
(4-amincarboxyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)ben...)
Show SMILES NC(=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O2/c24-22(28)17-11-13-18(14-12-17)23(29)25-21-15-20(16-7-3-1-4-8-16)26-27(21)19-9-5-2-6-10-19/h1-15H,(H2,24,28)(H,25,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187610
PNG
(3-cyano-N-(1,3-diphenyl-1H-pyrazol-4-yl)benzamide ...)
Show SMILES O=C(Nc1cn(nc1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H16N4O/c24-15-17-8-7-11-19(14-17)23(28)25-21-16-27(20-12-5-2-6-13-20)26-22(21)18-9-3-1-4-10-18/h1-14,16H,(H,25,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187609
PNG
(CHEMBL210745 | N-(1-(3-bromophenyl)-3-phenyl-1H-py...)
Show SMILES Brc1cccc(c1)-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16BrN3O/c23-18-12-7-13-19(14-18)26-21(24-22(27)17-10-5-2-6-11-17)15-20(25-26)16-8-3-1-4-9-16/h1-15H,(H,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187651
PNG
(CHEMBL207814 | N-(1-(2-pyridyl)-3-phenyl-1H-pyrazo...)
Show SMILES O=C(Nc1cc(nn1-c1ccccn1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H16N4O/c26-21(17-11-5-2-6-12-17)23-20-15-18(16-9-3-1-4-10-16)24-25(20)19-13-7-8-14-22-19/h1-15H,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187628
PNG
(CHEMBL378550 | N-(1-(3-cyanophenyl)-3-phenyl-1H-py...)
Show SMILES O=C(Nc1cc(nn1-c1cccc(c1)C#N)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-13-20(14-17)27-22(25-23(28)19-11-5-2-6-12-19)15-21(26-27)18-9-3-1-4-10-18/h1-15H,(H,25,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187607
PNG
(4-nitro-N-(1,3-diphenyl-1H-pyrazol-4-yl)benzamide ...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cn(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-20-15-25(18-9-5-2-6-10-18)24-21(20)16-7-3-1-4-8-16/h1-15H,(H,23,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187637
PNG
(CHEMBL382766 | N-(1-phenyl-3-(2-chlorophenyl)-1H-p...)
Show SMILES Clc1ccccc1-c1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H16ClN3O/c23-19-14-8-7-13-18(19)20-15-21(24-22(27)16-9-3-1-4-10-16)26(25-20)17-11-5-2-6-12-17/h1-15H,(H,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187646
PNG
(CHEMBL208157 | N-(cyclopentylmethyl)carboxyl-1,3-d...)
Show SMILES O=C(CC1CCCC1)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O/c26-22(15-17-9-7-8-10-17)23-21-16-20(18-11-3-1-4-12-18)24-25(21)19-13-5-2-6-14-19/h1-6,11-14,16-17H,7-10,15H2,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187608
PNG
(3,4-dimethoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benz...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-29-21-14-13-18(15-22(21)30-2)24(28)25-23-16-20(17-9-5-3-6-10-17)26-27(23)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187618
PNG
(4-nitro-N-(1,4-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1c(cnn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)24-21-20(16-7-3-1-4-8-16)15-23-25(21)18-9-5-2-6-10-18/h1-15H,(H,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187612
PNG
(3,5-dimethoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benz...)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-29-20-13-18(14-21(15-20)30-2)24(28)25-23-16-22(17-9-5-3-6-10-17)26-27(23)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187643
PNG
(CHEMBL383200 | N-(1,3-diphenyl-1H-pyrazol-4-yl)ben...)
Show SMILES O=C(Nc1cn(nc1-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17N3O/c26-22(18-12-6-2-7-13-18)23-20-16-25(19-14-8-3-9-15-19)24-21(20)17-10-4-1-5-11-17/h1-16H,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187645
PNG
(2-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(18-13-7-8-14-20(18)26(28)29)23-21-15-19(16-9-3-1-4-10-16)24-25(21)17-11-5-2-6-12-17/h1-15H,(H,23,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187654
PNG
(4-carboxyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzami...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H17N3O3/c27-22(17-11-13-18(14-12-17)23(28)29)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187620
PNG
(CHEMBL438063 | N-cyclohexanecarboxyl-1,3-diphenyl-...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C22H23N3O/c26-22(18-12-6-2-7-13-18)23-21-16-20(17-10-4-1-5-11-17)24-25(21)19-14-8-3-9-15-19/h1,3-5,8-11,14-16,18H,2,6-7,12-13H2,(H,23,26)
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 1.01E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187642
PNG
(CHEMBL378559 | N-cyclopentanecarboxyl-1,3-diphenyl...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C21H21N3O/c25-21(17-11-7-8-12-17)22-20-15-19(16-9-3-1-4-10-16)23-24(20)18-13-5-2-6-14-18/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,22,25)
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 1.16E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187631
PNG
(4-nitro-N-(1-(2-bromophenyl)-3-phenyl-1H-pyrazol-5...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1Br)-c1ccccc1
Show InChI InChI=1S/C22H15BrN4O3/c23-18-8-4-5-9-20(18)26-21(14-19(25-26)15-6-2-1-3-7-15)24-22(28)16-10-12-17(13-11-16)27(29)30/h1-14H,(H,24,28)
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n/an/an/an/a 61n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187632
PNG
(4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N4O/c24-16-17-11-13-19(14-12-17)23(28)25-22-15-21(18-7-3-1-4-8-18)26-27(22)20-9-5-2-6-10-20/h1-15H,(H,25,28)
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n/an/an/an/a 75n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187638
PNG
(CHEMBL209185 | N,N-bis(4-cyanobenzoyl)-1,3-dipheny...)
Show SMILES O=C(N(C(=O)c1ccc(cc1)C#N)c1cc(nn1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H19N5O2/c32-20-22-11-15-25(16-12-22)30(37)35(31(38)26-17-13-23(21-33)14-18-26)29-19-28(24-7-3-1-4-8-24)34-36(29)27-9-5-2-6-10-27/h1-19H
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n/an/an/an/a 340n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187644
PNG
(4-nitro-N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1F)-c1ccccc1
Show InChI InChI=1S/C22H15FN4O3/c23-18-8-4-5-9-20(18)26-21(14-19(25-26)15-6-2-1-3-7-15)24-22(28)16-10-12-17(13-11-16)27(29)30/h1-14H,(H,24,28)
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n/an/an/an/a 9.60n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187649
PNG
((S)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-[1,2,...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187653
PNG
(3,5-dinitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzam...)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H15N5O5/c28-22(16-11-18(26(29)30)13-19(12-16)27(31)32)23-21-14-20(15-7-3-1-4-8-15)24-25(21)17-9-5-2-6-10-17/h1-14H,(H,23,28)
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n/an/an/an/a 65n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187650
PNG
(3-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(17-10-7-13-19(14-17)26(28)29)23-21-15-20(16-8-3-1-4-9-16)24-25(21)18-11-5-2-6-12-18/h1-15H,(H,23,27)
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n/an/an/an/a 39n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187609
PNG
(CHEMBL210745 | N-(1-(3-bromophenyl)-3-phenyl-1H-py...)
Show SMILES Brc1cccc(c1)-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16BrN3O/c23-18-12-7-13-19(14-18)26-21(24-22(27)17-10-5-2-6-11-17)15-20(25-26)16-8-3-1-4-9-16/h1-15H,(H,24,27)
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n/an/an/an/a 400n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187614
PNG
(3-trifluoromethyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H16F3N3O/c24-23(25,26)18-11-7-10-17(14-18)22(30)27-21-15-20(16-8-3-1-4-9-16)28-29(21)19-12-5-2-6-13-19/h1-15H,(H,27,30)
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n/an/an/an/a 228n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187617
PNG
(3-nitro-N-(1-(2-bromophenyl)-3-phenyl-1H-pyrazol-5...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1Br)-c1ccccc1
Show InChI InChI=1S/C22H15BrN4O3/c23-18-11-4-5-12-20(18)26-21(14-19(25-26)15-7-2-1-3-8-15)24-22(28)16-9-6-10-17(13-16)27(29)30/h1-14H,(H,24,28)
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n/an/an/an/a 68n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187636
PNG
(4-trifluoromethoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl...)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H16F3N3O2/c24-23(25,26)31-19-13-11-17(12-14-19)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)18-9-5-2-6-10-18/h1-15H,(H,27,30)
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n/an/an/an/a 18n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187645
PNG
(2-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(18-13-7-8-14-20(18)26(28)29)23-21-15-19(16-9-3-1-4-10-16)24-25(21)17-11-5-2-6-12-17/h1-15H,(H,23,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187646
PNG
(CHEMBL208157 | N-(cyclopentylmethyl)carboxyl-1,3-d...)
Show SMILES O=C(CC1CCCC1)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O/c26-22(15-17-9-7-8-10-17)23-21-16-20(18-11-3-1-4-12-18)24-25(21)19-13-5-2-6-14-19/h1-6,11-14,16-17H,7-10,15H2,(H,23,26)
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n/an/an/an/a 350n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187610
PNG
(3-cyano-N-(1,3-diphenyl-1H-pyrazol-4-yl)benzamide ...)
Show SMILES O=C(Nc1cn(nc1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H16N4O/c24-15-17-8-7-11-19(14-17)23(28)25-21-16-27(20-12-5-2-6-13-20)26-22(21)18-9-3-1-4-10-18/h1-14,16H,(H,25,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50156065
PNG
(CHEMBL191039 | N-(1,3-diphenyl-1H-pyrazol-5-yl)ben...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17N3O/c26-22(18-12-6-2-7-13-18)23-21-16-20(17-10-4-1-5-11-17)24-25(21)19-14-8-3-9-15-19/h1-16H,(H,23,26)
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n/an/an/an/a 203n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187637
PNG
(CHEMBL382766 | N-(1-phenyl-3-(2-chlorophenyl)-1H-p...)
Show SMILES Clc1ccccc1-c1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H16ClN3O/c23-19-14-8-7-13-18(19)20-15-21(24-22(27)16-9-3-1-4-10-16)26(25-20)17-11-5-2-6-12-17/h1-15H,(H,24,27)
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n/an/an/an/a 2.29E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187643
PNG
(CHEMBL383200 | N-(1,3-diphenyl-1H-pyrazol-4-yl)ben...)
Show SMILES O=C(Nc1cn(nc1-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17N3O/c26-22(18-12-6-2-7-13-18)23-20-16-25(19-14-8-3-9-15-19)24-21(20)17-10-4-1-5-11-17/h1-16H,(H,23,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187640
PNG
(CHEMBL207475 | N-(1-(2-bromophenyl)-3-phenyl)-1H-p...)
Show SMILES Brc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16BrN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27)
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n/an/an/an/a 200n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50156069
PNG
(CHEMBL365409 | N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O/c1-17-12-14-19(15-13-17)23(27)24-22-16-21(18-8-4-2-5-9-18)25-26(22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
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n/an/an/an/a 64n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50156068
PNG
(CHEMBL190326 | N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H16F3N3O/c24-23(25,26)18-13-11-17(12-14-18)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)19-9-5-2-6-10-19/h1-15H,(H,27,30)
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n/an/an/an/a 38n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187613
PNG
(5-(4-phenyl-1,2,3-triazol-1-yl)-1,3-diphenyl-1H-py...)
Show SMILES c1c(nn(c1-n1cc(nn1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H17N5/c1-4-10-18(11-5-1)21-16-23(28(25-21)20-14-8-3-9-15-20)27-17-22(24-26-27)19-12-6-2-7-13-19/h1-17H
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n/an/an/an/a 2.60E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187615
PNG
(4-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)
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n/an/an/an/a 10.7n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187618
PNG
(4-nitro-N-(1,4-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1c(cnn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)24-21-20(16-7-3-1-4-8-16)15-23-25(21)18-9-5-2-6-10-18/h1-15H,(H,24,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187630
PNG
(CHEMBL208090 | N-(1-(3-methoxyphenyl)-3-phenyl-1H-...)
Show SMILES COc1cccc(c1)-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-8-13-19(15-20)26-22(24-23(27)18-11-6-3-7-12-18)16-21(25-26)17-9-4-2-5-10-17/h2-16H,1H3,(H,24,27)
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n/an/an/an/a 570n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187619
PNG
(CHEMBL378129 | N-(1-(2-fluorophenyl)-3-phenyl-1H-p...)
Show SMILES Fc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16FN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27)
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n/an/an/an/a 104n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187608
PNG
(3,4-dimethoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benz...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-29-21-14-13-18(15-22(21)30-2)24(28)25-23-16-20(17-9-5-3-6-10-17)26-27(23)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,28)
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n/an/an/an/a 3.53E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187639
PNG
(4-methoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamid...)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-12-18(13-15-20)23(27)24-22-16-21(17-8-4-2-5-9-17)25-26(22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)
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n/an/an/an/a 54n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187607
PNG
(4-nitro-N-(1,3-diphenyl-1H-pyrazol-4-yl)benzamide ...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cn(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-20-15-25(18-9-5-2-6-10-18)24-21(20)16-7-3-1-4-8-16/h1-15H,(H,23,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187627
PNG
(CHEMBL445149 | N-(1-phenyl-3-(3-methoxyphenyl)-1H-...)
Show SMILES COc1cccc(c1)-c1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-8-11-18(15-20)21-16-22(24-23(27)17-9-4-2-5-10-17)26(25-21)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27)
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n/an/an/an/a 600n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187628
PNG
(CHEMBL378550 | N-(1-(3-cyanophenyl)-3-phenyl-1H-py...)
Show SMILES O=C(Nc1cc(nn1-c1cccc(c1)C#N)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-13-20(14-17)27-22(25-23(28)19-11-5-2-6-12-19)15-21(26-27)18-9-3-1-4-10-18/h1-15H,(H,25,28)
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n/an/an/an/a 117n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187621
PNG
(CHEMBL377307 | N-(1-(2-chlorophenyl)-3-phenyl-1H-p...)
Show SMILES Clc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27)
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n/an/an/an/a 62n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187642
PNG
(CHEMBL378559 | N-cyclopentanecarboxyl-1,3-diphenyl...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C21H21N3O/c25-21(17-11-7-8-12-17)22-20-15-19(16-9-3-1-4-10-16)23-24(20)18-13-5-2-6-14-18/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,22,25)
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n/an/an/an/a 3.41E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187623
PNG
(CHEMBL378841 | N-cyclohex-1-enecarboxyl-1,3-diphen...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1=CCCCC1 |t:23|
Show InChI InChI=1S/C22H21N3O/c26-22(18-12-6-2-7-13-18)23-21-16-20(17-10-4-1-5-11-17)24-25(21)19-14-8-3-9-15-19/h1,3-5,8-12,14-16H,2,6-7,13H2,(H,23,26)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187612
PNG
(3,5-dimethoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benz...)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-29-20-13-18(14-21(15-20)30-2)24(28)25-23-16-22(17-9-5-3-6-10-17)26-27(23)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,28)
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n/an/an/an/a 2.04E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187620
PNG
(CHEMBL438063 | N-cyclohexanecarboxyl-1,3-diphenyl-...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C22H23N3O/c26-22(18-12-6-2-7-13-18)23-21-16-20(17-10-4-1-5-11-17)24-25(21)19-14-8-3-9-15-19/h1,3-5,8-11,14-16,18H,2,6-7,12-13H2,(H,23,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187635
PNG
(3-methoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamid...)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-8-11-18(15-20)23(27)24-22-16-21(17-9-4-2-5-10-17)25-26(22)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27)
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n/an/an/an/a 102n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187633
PNG
(3,4-dimethyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benza...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H21N3O/c1-17-13-14-20(15-18(17)2)24(28)25-23-16-22(19-9-5-3-6-10-19)26-27(23)21-11-7-4-8-12-21/h3-16H,1-2H3,(H,25,28)
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n/an/an/an/a 20n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187625
PNG
(4-nitro-N-(1-(2-chlorophenyl)-3-phenyl-1H-pyrazol-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1Cl)-c1ccccc1
Show InChI InChI=1S/C22H15ClN4O3/c23-18-8-4-5-9-20(18)26-21(14-19(25-26)15-6-2-1-3-7-15)24-22(28)16-10-12-17(13-11-16)27(29)30/h1-14H,(H,24,28)
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n/an/an/an/a 40n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187624
PNG
(CHEMBL208633 | N-isonicotinoyl-1,3-diphenyl-5-amin...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H16N4O/c26-21(17-11-13-22-14-12-17)23-20-15-19(16-7-3-1-4-8-16)24-25(20)18-9-5-2-6-10-18/h1-15H,(H,23,26)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50156071
PNG
(3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)
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n/an/an/an/a 77n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187616
PNG
(3,4-dichloro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benza...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H15Cl2N3O/c23-18-12-11-16(13-19(18)24)22(28)25-21-14-20(15-7-3-1-4-8-15)26-27(21)17-9-5-2-6-10-17/h1-14H,(H,25,28)
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n/an/an/an/a 13n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187626
PNG
(CHEMBL208899 | N-(6-methyl-3-pyridinoyl)-1,3-diphe...)
Show SMILES Cc1ccc(cn1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-16-12-13-18(15-23-16)22(27)24-21-14-20(17-8-4-2-5-9-17)25-26(21)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,27)
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n/an/an/an/a 280n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187641
PNG
(CHEMBL209183 | N-(4-nitrocinnamoyl)-1,3-diphenyl-5...)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)Nc2cc(nn2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H18N4O3/c29-24(16-13-18-11-14-21(15-12-18)28(30)31)25-23-17-22(19-7-3-1-4-8-19)26-27(23)20-9-5-2-6-10-20/h1-17H,(H,25,29)/b16-13+
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n/an/an/an/a 560n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187622
PNG
((5-(4-cyanobenzoyl)imino-2-(4-cyanobenzoyl)-1,3-di...)
Show SMILES O=C(\N=c1/cc(-c2ccccc2)n(C(=O)c2ccc(cc2)C#N)n1-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H19N5O2/c32-20-22-11-15-25(16-12-22)30(37)34-29-19-28(24-7-3-1-4-8-24)36(35(29)27-9-5-2-6-10-27)31(38)26-17-13-23(21-33)14-18-26/h1-19H/b34-29+
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n/an/an/an/a 43n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50187629
PNG
(3-cyano-N-(1-(2-bromophenyl)-3-phenyl-1H-pyrazol-5...)
Show SMILES Brc1ccccc1-n1nc(cc1NC(=O)c1cccc(c1)C#N)-c1ccccc1
Show InChI InChI=1S/C23H15BrN4O/c24-19-11-4-5-12-21(19)28-22(14-20(27-28)17-8-2-1-3-9-17)26-23(29)18-10-6-7-16(13-18)15-25/h1-14H,(H,26,29)
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n/an/an/an/a 50n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes

J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%