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9 similar compounds to monomer 50186331

Compile data set for download or QSAR
Wt: 226.2
BDBM50186319
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Wt: 237.2
BDBM50186330
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Wt: 212.2
BDBM50186336
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Wt: 290.3
BDBM50258374
Wt: 288.3
BDBM50258614
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Wt: 313.3
BDBM50258615
Wt: 322.7
BDBM50258616
Wt: 313.3
BDBM50258665
Wt: 237.2
BDBM50258370
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50186319,50186330,50186336,50258374,50258614,50258615,50258616,50258665,50258370   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50258665
PNG
(3-Cyano-4-phenyl-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Show InChI InChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)
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9.80n/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


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50186330
PNG
(3-cyano-N-(6-methylpyridin-2-yl)benzamide | CHEMBL...)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)C#N)n1
Show InChI InChI=1S/C14H11N3O/c1-10-4-2-7-13(16-10)17-14(18)12-6-3-5-11(8-12)9-15/h2-8H,1H3,(H,16,17,18)
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330n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


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


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50258616
PNG
(4-(3'-Chloro-phenyl)-N-(6-methylpyridin-2-yl)-benz...)
Show SMILES Cc1cccc(NC(=O)c2ccc(cc2)-c2cccc(Cl)c2)n1
Show InChI InChI=1S/C19H15ClN2O/c1-13-4-2-7-18(21-13)22-19(23)15-10-8-14(9-11-15)16-5-3-6-17(20)12-16/h2-12H,1H3,(H,21,22,23)
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3.33E+3n/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


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50258665
PNG
(3-Cyano-4-phenyl-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Show InChI InChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)
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>6.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50258665
PNG
(3-Cyano-4-phenyl-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Show InChI InChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)
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>6.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50258665
PNG
(3-Cyano-4-phenyl-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Show InChI InChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)
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>6.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human NET expressed in HEK293 cells


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50258665
PNG
(3-Cyano-4-phenyl-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Show InChI InChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)
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>6.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT expressed in HEK293 cells


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50258665
PNG
(3-Cyano-4-phenyl-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Show InChI InChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)
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>6.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human SERT expressed in HEK293 cells


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50258665
PNG
(3-Cyano-4-phenyl-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Show InChI InChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)
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>6.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50258614
PNG
(4-Phenyl-N-(6-methylpyridin-2-yl)-benzamide | CHEM...)
Show SMILES Cc1cccc(NC(=O)c2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C19H16N2O/c1-14-6-5-9-18(20-14)21-19(22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,20,21,22)
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7.00E+3n/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


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50258374
PNG
(CHEMBL523856 | N-(6-methylpyridin-2-yl)-3,3'-bipyr...)
Show SMILES Cc1cccc(NC(=O)c2cncc(c2)-c2cccnc2)n1
Show InChI InChI=1S/C17H14N4O/c1-12-4-2-6-16(20-12)21-17(22)15-8-14(10-19-11-15)13-5-3-7-18-9-13/h2-11H,1H3,(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


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


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50258370
PNG
(4-Cyano-N-(6-methylpyridin-2-yl)-benzamide | CHEMB...)
Show SMILES Cc1cccc(NC(=O)c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C14H11N3O/c1-10-3-2-4-13(16-10)17-14(18)12-7-5-11(9-15)6-8-12/h2-8H,1H3,(H,16,17,18)
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>1.00E+4n/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


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50258615
PNG
(4-(3'-Cyano-phenyl)-N-(6-methylpyridin-2-yl)-benza...)
Show SMILES Cc1cccc(NC(=O)c2ccc(cc2)-c2cccc(c2)C#N)n1
Show InChI InChI=1S/C20H15N3O/c1-14-4-2-7-19(22-14)23-20(24)17-10-8-16(9-11-17)18-6-3-5-15(12-18)13-21/h2-12H,1H3,(H,22,23,24)
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>1.00E+4n/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


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50258665
PNG
(3-Cyano-4-phenyl-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Show InChI InChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)
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n/an/a 14n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutamate-induced calcium flux preincubated for 140 sec before glutamate cha...


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50186330
PNG
(3-cyano-N-(6-methylpyridin-2-yl)benzamide | CHEMBL...)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)C#N)n1
Show InChI InChI=1S/C14H11N3O/c1-10-4-2-7-13(16-10)17-14(18)12-6-3-5-11(8-12)9-15/h2-8H,1H3,(H,16,17,18)
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n/an/a 5.33E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 expressed in CHO cells assessed as phosphoinositide hydrolysis


Bioorg Med Chem Lett 17: 2074-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.083
BindingDB Entry DOI: 10.7270/Q228078G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50186319
PNG
(3-methyl-N-(6-methylpyridin-2-yl)benzamide | CHEMB...)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C14H14N2O/c1-10-5-3-7-12(9-10)14(17)16-13-8-4-6-11(2)15-13/h3-9H,1-2H3,(H,15,16,17)
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n/an/a 1.84E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]MPEP binding to mGluR5 in rat brain membrane


Bioorg Med Chem Lett 16: 3371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.032
BindingDB Entry DOI: 10.7270/Q2RV0N9Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50186336
PNG
(CHEMBL209461 | N-(6-methylpyridin-2-yl)benzamide)
Show SMILES Cc1cccc(NC(=O)c2ccccc2)n1
Show InChI InChI=1S/C13H12N2O/c1-10-6-5-9-12(14-10)15-13(16)11-7-3-2-4-8-11/h2-9H,1H3,(H,14,15,16)
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n/an/a 3.50E+4n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]MPEP binding to mGluR5 in rat brain membrane


Bioorg Med Chem Lett 16: 3371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.032
BindingDB Entry DOI: 10.7270/Q2RV0N9Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50186330
PNG
(3-cyano-N-(6-methylpyridin-2-yl)benzamide | CHEMBL...)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)C#N)n1
Show InChI InChI=1S/C14H11N3O/c1-10-4-2-7-13(16-10)17-14(18)12-6-3-5-11(8-12)9-15/h2-8H,1H3,(H,16,17,18)
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n/an/a 330n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]MPEP binding to mGluR5 in rat brain membrane


Bioorg Med Chem Lett 16: 3371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.032
BindingDB Entry DOI: 10.7270/Q2RV0N9Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50186330
PNG
(3-cyano-N-(6-methylpyridin-2-yl)benzamide | CHEMBL...)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)C#N)n1
Show InChI InChI=1S/C14H11N3O/c1-10-4-2-7-13(16-10)17-14(18)12-6-3-5-11(8-12)9-15/h2-8H,1H3,(H,16,17,18)
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n/an/a 5.33E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Antagonist activity against mGluR5 expressed in CHO cells assessed as inhibition of agonist-induced phosphoinositide hydrolysis


Bioorg Med Chem Lett 16: 3371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.032
BindingDB Entry DOI: 10.7270/Q2RV0N9Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50186319
PNG
(3-methyl-N-(6-methylpyridin-2-yl)benzamide | CHEMB...)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C14H14N2O/c1-10-5-3-7-12(9-10)14(17)16-13-8-4-6-11(2)15-13/h3-9H,1-2H3,(H,15,16,17)
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n/an/a 5.90E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Antagonist activity against mGluR5 expressed in CHO cells assessed as inhibition of agonist-induced phosphoinositide hydrolysis


Bioorg Med Chem Lett 16: 3371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.032
BindingDB Entry DOI: 10.7270/Q2RV0N9Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50186330
PNG
(3-cyano-N-(6-methylpyridin-2-yl)benzamide | CHEMBL...)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)C#N)n1
Show InChI InChI=1S/C14H11N3O/c1-10-4-2-7-13(16-10)17-14(18)12-6-3-5-11(8-12)9-15/h2-8H,1H3,(H,16,17,18)
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n/an/a 490n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutamate-induced calcium flux preincubated for 140 sec before glutamate cha...


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair