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PubMed code 19445453

Compile data set for download or QSAR
Found 87 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


(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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PubMed
 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

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


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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


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

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))		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

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


(Rattus norvegicus (Rat))		BDBM50258330
PNG
(2-(4-Fluorophenyl)-5-(6-methylpyridin-2-ylethynyl)...)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1C#N)C#Cc1ccccn1
Show InChI InChI=1S/C20H11FN2/c21-18-8-6-16(7-9-18)20-11-5-15(13-17(20)14-22)4-10-19-3-1-2-12-23-19/h1-3,5-9,11-13H
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 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 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


(Rattus norvegicus (Rat))		BDBM50258328
PNG
(2-Phenyl-5-(6-methylpyridin-2-ylethynyl)benzonitri...)
Show SMILES N#Cc1cc(ccc1-c1ccccc1)C#Cc1ccccn1
Show InChI InChI=1S/C20H12N2/c21-15-18-14-16(9-11-19-8-4-5-13-22-19)10-12-20(18)17-6-2-1-3-7-17/h1-8,10,12-14H
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 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))		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

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))		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

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))		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 5


(Homo sapiens (Human))		BDBM50258613
PNG
(1-(Pyridin-3-yl)-2-fluoro-4-(2-methylthiazol-4ylet...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-15(11-21-12)6-4-13-5-7-16(17(18)9-13)14-3-2-8-19-10-14/h2-3,5,7-11H,1H3
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 11n/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))		BDBM50149798
PNG
(3-Phenyl-1-(2-methylthiazol-4-ylethynyl)benzene | ...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H13NS/c1-14-19-18(13-20-14)11-10-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12-13H,1H3
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 11n/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))		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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 13n/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


(Rattus norvegicus (Rat))		BDBM50258329
PNG
(2-(3-Fluorophenyl)-5-(6-methylpyridin-2-ylethynyl)...)
Show SMILES Fc1cccc(c1)-c1ccc(cc1C#N)C#Cc1ccccn1
Show InChI InChI=1S/C20H11FN2/c21-18-5-3-4-16(13-18)20-10-8-15(12-17(20)14-22)7-9-19-6-1-2-11-23-19/h1-6,8,10-13H
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 17n/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))		BDBM50258331
PNG
(3-Cyano-4'-(3-fluorophenyl)-N-(6-methylpyridin-2-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Show InChI InChI=1S/C20H14FN3O/c1-13-4-2-7-19(23-13)24-20(25)15-8-9-18(16(10-15)12-22)14-5-3-6-17(21)11-14/h2-11H,1H3,(H,23,24,25)
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 22n/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


(Rattus norvegicus (Rat))		BDBM50258619
PNG
(3-Cyano-5-fluoro-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)
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 66n/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


(Rattus norvegicus (Rat))		BDBM50258333
PNG
(3-Cyano-N-(6-methylpyridin-2-yl)-4-(naphthalen-1-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(c(c2)C#N)-c2cccc3ccccc23)n1
Show InChI InChI=1S/C24H17N3O/c1-16-6-4-11-23(26-16)27-24(28)18-12-13-21(19(14-18)15-25)22-10-5-8-17-7-2-3-9-20(17)22/h2-14H,1H3,(H,26,27,28)
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 72n/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


(Rattus norvegicus (Rat))		BDBM50258332
PNG
(3-Cyano-4-(4'-fluorophenyl)-N-(6-methylpyridin-2-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)c(c2)C#N)n1
Show InChI InChI=1S/C20H14FN3O/c1-13-3-2-4-19(23-13)24-20(25)15-7-10-18(16(11-15)12-22)14-5-8-17(21)9-6-14/h2-11H,1H3,(H,23,24,25)
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 134n/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


(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


(Rattus norvegicus (Rat))		BDBM50258376
PNG
(CHEMBL525384 | N-(6-methylpyridin-2-yl)-6-phenylni...)
Show SMILES Cc1cccc(NC(=O)c2ccc(nc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H15N3O/c1-13-6-5-9-17(20-13)21-18(22)15-10-11-16(19-12-15)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21,22)
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 356n/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


(Rattus norvegicus (Rat))		BDBM50258662
PNG
(5-Fluoro-2'-methyl-N-(6-methylpyridin-2-yl)bipheny...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)-c2ccccc2C)n1
Show InChI InChI=1S/C20H17FN2O/c1-13-6-3-4-8-18(13)15-10-16(12-17(21)11-15)20(24)23-19-9-5-7-14(2)22-19/h3-12H,1-2H3,(H,22,23,24)
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 610n/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


(Rattus norvegicus (Rat))		BDBM50258660
PNG
(3-Fluoro-N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)-c2cccnc2)n1
Show InChI InChI=1S/C18H14FN3O/c1-12-4-2-6-17(21-12)22-18(23)15-8-14(9-16(19)10-15)13-5-3-7-20-11-13/h2-11H,1H3,(H,21,22,23)
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 702n/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


(Rattus norvegicus (Rat))		BDBM50186323
PNG
(3-chloro-N-(6-methylpyridin-2-yl)benzamide | CHEMB...)
Show SMILES Cc1cccc(NC(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C13H11ClN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)
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 1.73E+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 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


(Rattus norvegicus (Rat))		BDBM50258334
PNG
(3-Cyano-N-(6-methylpyridin-2-yl)-4-(pyridine-3-yl)...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3cccnc3)c(c2)C#N)n1
Show InChI InChI=1S/C19H14N4O/c1-13-4-2-6-18(22-13)23-19(24)14-7-8-17(16(10-14)11-20)15-5-3-9-21-12-15/h2-10,12H,1H3,(H,22,23,24)
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 2.04E+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 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


(Rattus norvegicus (Rat))		BDBM50258377
PNG
(CHEMBL493572 | N-(6-methylpyridin-2-yl)-2,3'-bipyr...)
Show SMILES Cc1cccc(NC(=O)c2ccc(nc2)-c2cccnc2)n1
Show InChI InChI=1S/C17H14N4O/c1-12-4-2-6-16(20-12)21-17(22)14-7-8-15(19-11-14)13-5-3-9-18-10-13/h2-11H,1H3,(H,20,21,22)
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 2.48E+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 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


(Rattus norvegicus (Rat))		BDBM50258664
PNG
(3-Chloro-N-(6-methylpyridin-2-yl)-4-(pyridine-3-yl...)
Show SMILES Cc1cccc(NC(=O)c2ccc(c(Cl)c2)-c2cccnc2)n1
Show InChI InChI=1S/C18H14ClN3O/c1-12-4-2-6-17(21-12)22-18(23)13-7-8-15(16(19)10-13)14-5-3-9-20-11-14/h2-11H,1H3,(H,21,22,23)
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 2.78E+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 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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50258375
PNG
(5-(2-methoxyphenyl)-N-(6-methylpyridin-2-yl)nicoti...)
Show SMILES COc1ccccc1-c1cncc(c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C19H17N3O2/c1-13-6-5-9-18(21-13)22-19(23)15-10-14(11-20-12-15)16-7-3-4-8-17(16)24-2/h3-12H,1-2H3,(H,21,22,23)
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 4.92E+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 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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50258613
PNG
(1-(Pyridin-3-yl)-2-fluoro-4-(2-methylthiazol-4ylet...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-15(11-21-12)6-4-13-5-7-16(17(18)9-13)14-3-2-8-19-10-14/h2-3,5,7-11H,1H3
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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))		BDBM50258331
PNG
(3-Cyano-4'-(3-fluorophenyl)-N-(6-methylpyridin-2-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Show InChI InChI=1S/C20H14FN3O/c1-13-4-2-7-19(23-13)24-20(25)15-8-9-18(16(10-15)12-22)14-5-3-6-17(21)11-14/h2-11H,1H3,(H,23,24,25)
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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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50258613
PNG
(1-(Pyridin-3-yl)-2-fluoro-4-(2-methylthiazol-4ylet...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-15(11-21-12)6-4-13-5-7-16(17(18)9-13)14-3-2-8-19-10-14/h2-3,5,7-11H,1H3
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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 dopamine transporter


(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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>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
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50258613
PNG
(1-(Pyridin-3-yl)-2-fluoro-4-(2-methylthiazol-4ylet...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-15(11-21-12)6-4-13-5-7-16(17(18)9-13)14-3-2-8-19-10-14/h2-3,5,7-11H,1H3
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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 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
Sodium-dependent serotonin transporter


(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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>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 dopamine transporter


(Homo sapiens (Human))		BDBM50258331
PNG
(3-Cyano-4'-(3-fluorophenyl)-N-(6-methylpyridin-2-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Show InChI InChI=1S/C20H14FN3O/c1-13-4-2-7-19(23-13)24-20(25)15-8-9-18(16(10-15)12-22)14-5-3-6-17(21)11-14/h2-11H,1H3,(H,23,24,25)
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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 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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50258331
PNG
(3-Cyano-4'-(3-fluorophenyl)-N-(6-methylpyridin-2-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Show InChI InChI=1S/C20H14FN3O/c1-13-4-2-7-19(23-13)24-20(25)15-8-9-18(16(10-15)12-22)14-5-3-6-17(21)11-14/h2-11H,1H3,(H,23,24,25)
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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 noradrenaline transporter


(Homo sapiens (Human))		BDBM50258613
PNG
(1-(Pyridin-3-yl)-2-fluoro-4-(2-methylthiazol-4ylet...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-15(11-21-12)6-4-13-5-7-16(17(18)9-13)14-3-2-8-19-10-14/h2-3,5,7-11H,1H3
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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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50258331
PNG
(3-Cyano-4'-(3-fluorophenyl)-N-(6-methylpyridin-2-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Show InChI InChI=1S/C20H14FN3O/c1-13-4-2-7-19(23-13)24-20(25)15-8-9-18(16(10-15)12-22)14-5-3-6-17(21)11-14/h2-11H,1H3,(H,23,24,25)
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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))		BDBM50258613
PNG
(1-(Pyridin-3-yl)-2-fluoro-4-(2-methylthiazol-4ylet...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-15(11-21-12)6-4-13-5-7-16(17(18)9-13)14-3-2-8-19-10-14/h2-3,5,7-11H,1H3
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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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50258331
PNG
(3-Cyano-4'-(3-fluorophenyl)-N-(6-methylpyridin-2-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Show InChI InChI=1S/C20H14FN3O/c1-13-4-2-7-19(23-13)24-20(25)15-8-9-18(16(10-15)12-22)14-5-3-6-17(21)11-14/h2-11H,1H3,(H,23,24,25)
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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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50258331
PNG
(3-Cyano-4'-(3-fluorophenyl)-N-(6-methylpyridin-2-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Show InChI InChI=1S/C20H14FN3O/c1-13-4-2-7-19(23-13)24-20(25)15-8-9-18(16(10-15)12-22)14-5-3-6-17(21)11-14/h2-11H,1H3,(H,23,24,25)
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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
Sodium-dependent noradrenaline transporter


(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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>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
Sodium-dependent dopamine transporter


(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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>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))		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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>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
Sodium-dependent dopamine 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 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 noradrenaline transporter


(Homo sapiens (Human))		BDBM50258613
PNG
(1-(Pyridin-3-yl)-2-fluoro-4-(2-methylthiazol-4ylet...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-15(11-21-12)6-4-13-5-7-16(17(18)9-13)14-3-2-8-19-10-14/h2-3,5,7-11H,1H3
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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
Sodium-dependent noradrenaline transporter


(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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>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
Sodium-dependent dopamine 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 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
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 5


(Homo sapiens (Human))		BDBM50258372
PNG
(4-Phenoxy-N-(6-methylpyridin-2-yl)-benzamide | CHE...)
Show SMILES Cc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C19H16N2O2/c1-14-6-5-9-18(20-14)21-19(22)15-10-12-17(13-11-15)23-16-7-3-2-4-8-16/h2-13H,1H3,(H,20,21,22)
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 7.29E+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 5


(Rattus norvegicus (Rat))		BDBM50186331
PNG
(CHEMBL377935 | N-(6-methylpyridin-2-yl)biphenyl-3-...)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C19H16N2O/c1-14-7-5-12-18(20-14)21-19(22)17-11-6-10-16(13-17)15-8-3-2-4-9-15/h2-13H,1H3,(H,20,21,22)
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 7.30E+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 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))		BDBM50258617
PNG
(3,5-Difluoro-N-(6-methylpyridin-2-yl)-benzamide | ...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C13H10F2N2O/c1-8-3-2-4-12(16-8)17-13(18)9-5-10(14)7-11(15)6-9/h2-7H,1H3,(H,16,17,18)
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 7.58E+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 5


(Rattus norvegicus (Rat))		BDBM50258663
PNG
(3-Fluoro-N-(6-methylpyridin-2-yl)-4-(pyridine-3-yl...)
Show SMILES Cc1cccc(NC(=O)c2ccc(c(F)c2)-c2cccnc2)n1
Show InChI InChI=1S/C18H14FN3O/c1-12-4-2-6-17(21-12)22-18(23)13-7-8-15(16(19)10-13)14-5-3-9-20-11-14/h2-11H,1H3,(H,21,22,23)
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 7.72E+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 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


(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))		BDBM50258373
PNG
(4-(Benzyloxy)-N-(6-methylpyridin-2-yl)-benzamide |...)
Show SMILES Cc1cccc(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)n1
Show InChI InChI=1S/C20H16N2O3/c1-14-6-5-9-18(21-14)22-19(23)15-10-12-17(13-11-15)25-20(24)16-7-3-2-4-8-16/h2-13H,1H3,(H,21,22,23)
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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


(Rattus norvegicus (Rat))		BDBM50258661
PNG
(5-Fluoro-2'-methoxy-N-(6-methylpyridin-2-yl)biphen...)
Show SMILES COc1ccccc1-c1cc(F)cc(c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C20H17FN2O2/c1-13-6-5-9-19(22-13)23-20(24)15-10-14(11-16(21)12-15)17-7-3-4-8-18(17)25-2/h3-12H,1-2H3,(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 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))		BDBM50258371
PNG
(4-Bromo-N-(6-methylpyridin-2-yl)-benzamide | CHEMB...)
Show SMILES Cc1cccc(NC(=O)c2ccc(Br)cc2)n1
Show InChI InChI=1S/C13H11BrN2O/c1-9-3-2-4-12(15-9)16-13(17)10-5-7-11(14)8-6-10/h2-8H,1H3,(H,15,16,17)
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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 5


(Homo sapiens (Human))		BDBM50258618
PNG
(3,4-Difluoro-N-(6-methylpyridin-2-yl)-benzamide | ...)
Show SMILES Cc1cccc(NC(=O)c2ccc(F)c(F)c2)n1
Show InChI InChI=1S/C13H10F2N2O/c1-8-3-2-4-12(16-8)17-13(18)9-5-6-10(14)11(15)7-9/h2-7H,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


(Rattus norvegicus (Rat))		BDBM50160632
PNG
(3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3
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n/an/a 0.420n/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


(Rattus norvegicus (Rat))		BDBM50258612
PNG
(3-Fluoro-5-cyano-1-(2-methylthiazol-4-ylethynyl)be...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C13H7FN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3
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n/an/a 0.810n/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


(Rattus norvegicus (Rat))		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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n/an/a 1.20n/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


(Rattus norvegicus (Rat))		BDBM50149798
PNG
(3-Phenyl-1-(2-methylthiazol-4-ylethynyl)benzene | ...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H13NS/c1-14-19-18(13-20-14)11-10-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12-13H,1H3
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n/an/a 3.10n/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


(Rattus norvegicus (Rat))		BDBM50258328
PNG
(2-Phenyl-5-(6-methylpyridin-2-ylethynyl)benzonitri...)
Show SMILES N#Cc1cc(ccc1-c1ccccc1)C#Cc1ccccn1
Show InChI InChI=1S/C20H12N2/c21-15-18-14-16(9-11-19-8-4-5-13-22-19)10-12-20(18)17-6-2-1-3-7-17/h1-8,10,12-14H
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n/an/a 3.10n/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


(Rattus norvegicus (Rat))		BDBM50258613
PNG
(1-(Pyridin-3-yl)-2-fluoro-4-(2-methylthiazol-4ylet...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-15(11-21-12)6-4-13-5-7-16(17(18)9-13)14-3-2-8-19-10-14/h2-3,5,7-11H,1H3
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n/an/a 3.40n/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


(Rattus norvegicus (Rat))		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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n/an/a 3.5n/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


(Rattus norvegicus (Rat))		BDBM50258332
PNG
(3-Cyano-4-(4'-fluorophenyl)-N-(6-methylpyridin-2-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)c(c2)C#N)n1
Show InChI InChI=1S/C20H14FN3O/c1-13-3-2-4-19(23-13)24-20(25)15-7-10-18(16(11-15)12-22)14-5-8-17(21)9-6-14/h2-11H,1H3,(H,23,24,25)
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n/an/a 4.60n/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


(Rattus norvegicus (Rat))		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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n/an/a 4.80n/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


(Rattus norvegicus (Rat))		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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n/an/a 5.20n/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


(Rattus norvegicus (Rat))		BDBM50258329
PNG
(2-(3-Fluorophenyl)-5-(6-methylpyridin-2-ylethynyl)...)
Show SMILES Fc1cccc(c1)-c1ccc(cc1C#N)C#Cc1ccccn1
Show InChI InChI=1S/C20H11FN2/c21-18-5-3-4-16(13-18)20-10-8-15(12-17(20)14-22)7-9-19-6-1-2-11-23-19/h1-6,8,10-13H
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n/an/a 6.10n/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


(Rattus norvegicus (Rat))		BDBM50258330
PNG
(2-(4-Fluorophenyl)-5-(6-methylpyridin-2-ylethynyl)...)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1C#N)C#Cc1ccccn1
Show InChI InChI=1S/C20H11FN2/c21-18-8-6-16(7-9-18)20-11-5-15(13-17(20)14-22)4-10-19-3-1-2-12-23-19/h1-3,5-9,11-13H
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n/an/a 7.20n/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


(Rattus norvegicus (Rat))		BDBM50122758
PNG
(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
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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


(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


(Rattus norvegicus (Rat))		BDBM50258619
PNG
(3-Cyano-5-fluoro-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)
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n/an/a 22n/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


(Rattus norvegicus (Rat))		BDBM50258331
PNG
(3-Cyano-4'-(3-fluorophenyl)-N-(6-methylpyridin-2-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Show InChI InChI=1S/C20H14FN3O/c1-13-4-2-7-19(23-13)24-20(25)15-8-9-18(16(10-15)12-22)14-5-3-6-17(21)11-14/h2-11H,1H3,(H,23,24,25)
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n/an/a 25n/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


(Rattus norvegicus (Rat))		BDBM50207078
PNG
(4-(3,5-Difluorophenyl)-N-(6-methylpyrindin-2-yl)pi...)
Show SMILES Cc1cccc(NC(=O)c2cc(ccn2)-c2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C18H13F2N3O/c1-11-3-2-4-17(22-11)23-18(24)16-9-12(5-6-21-16)13-7-14(19)10-15(20)8-13/h2-10H,1H3,(H,22,23,24)
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n/an/a 98n/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


(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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50258333
PNG
(3-Cyano-N-(6-methylpyridin-2-yl)-4-(naphthalen-1-y...)
Show SMILES Cc1cccc(NC(=O)c2ccc(c(c2)C#N)-c2cccc3ccccc23)n1
Show InChI InChI=1S/C24H17N3O/c1-16-6-4-11-23(26-16)27-24(28)18-12-13-21(19(14-18)15-25)22-10-5-8-17-7-2-3-9-20(17)22/h2-14H,1H3,(H,26,27,28)
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n/an/a 640n/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


(Rattus norvegicus (Rat))		BDBM50258334
PNG
(3-Cyano-N-(6-methylpyridin-2-yl)-4-(pyridine-3-yl)...)
Show SMILES Cc1cccc(NC(=O)c2ccc(-c3cccnc3)c(c2)C#N)n1
Show InChI InChI=1S/C19H14N4O/c1-13-4-2-6-18(22-13)23-19(24)14-7-8-17(16(10-14)11-20)15-5-3-9-21-12-15/h2-10,12H,1H3,(H,22,23,24)
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n/an/a>1.00E+3n/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


(Rattus norvegicus (Rat))		BDBM50258664
PNG
(3-Chloro-N-(6-methylpyridin-2-yl)-4-(pyridine-3-yl...)
Show SMILES Cc1cccc(NC(=O)c2ccc(c(Cl)c2)-c2cccnc2)n1
Show InChI InChI=1S/C18H14ClN3O/c1-12-4-2-6-17(21-12)22-18(23)13-7-8-15(16(19)10-13)14-5-3-9-20-11-14/h2-11H,1H3,(H,21,22,23)
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n/an/a>1.00E+3n/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


(Rattus norvegicus (Rat))		BDBM50186323
PNG
(3-chloro-N-(6-methylpyridin-2-yl)benzamide | CHEMB...)
Show SMILES Cc1cccc(NC(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C13H11ClN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)
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n/an/a 1.87E+3n/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


(Rattus norvegicus (Rat))		BDBM50258663
PNG
(3-Fluoro-N-(6-methylpyridin-2-yl)-4-(pyridine-3-yl...)
Show SMILES Cc1cccc(NC(=O)c2ccc(c(F)c2)-c2cccnc2)n1
Show InChI InChI=1S/C18H14FN3O/c1-12-4-2-6-17(21-12)22-18(23)13-7-8-15(16(19)10-13)14-5-3-9-20-11-14/h2-11H,1H3,(H,21,22,23)
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n/an/a>3.00E+3n/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


(Rattus norvegicus (Rat))		BDBM50258376
PNG
(CHEMBL525384 | N-(6-methylpyridin-2-yl)-6-phenylni...)
Show SMILES Cc1cccc(NC(=O)c2ccc(nc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H15N3O/c1-13-6-5-9-17(20-13)21-18(22)15-10-11-16(19-12-15)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21,22)
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n/an/a>3.00E+3n/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


(Rattus norvegicus (Rat))		BDBM50258377
PNG
(CHEMBL493572 | N-(6-methylpyridin-2-yl)-2,3'-bipyr...)
Show SMILES Cc1cccc(NC(=O)c2ccc(nc2)-c2cccnc2)n1
Show InChI InChI=1S/C17H14N4O/c1-12-4-2-6-16(20-12)21-17(22)14-7-8-15(19-11-14)13-5-3-9-18-10-13/h2-11H,1H3,(H,20,21,22)
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n/an/a>3.00E+3n/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
* indicates data uncertainty>20%