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Compile Data Set for Download or QSAR

Found 14079 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor'   
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))
BDBM50215552
PNG
(3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethyny...)
Show SMILES FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2
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n/an/a 0.0360n/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


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


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50215556
PNG
(3-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzoni...)
Show SMILES FCc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C13H7FN2S/c14-7-13-16-12(9-17-13)5-4-10-2-1-3-11(6-10)8-15/h1-3,6,9H,7H2
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n/an/a 0.0600n/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


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


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
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 0.200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50215553
PNG
(5-(2-(2-fluoromethyl)thiazole-4-yl)ethynyl)pyridin...)
Show SMILES FCc1nc(cs1)C#Cc1cncc(c1)C#N
Show InChI InChI=1S/C12H6FN3S/c13-4-12-16-11(8-17-12)2-1-9-3-10(5-14)7-15-6-9/h3,6-8H,4H2
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n/an/a 0.230n/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


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


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345567
PNG
(3-(2-(5-methylpyridin-2-yl)ethynyl)-5-fluorobenzon...)
Show SMILES Cc1ccc(nc1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C15H9FN2/c1-11-2-4-15(18-10-11)5-3-12-6-13(9-17)8-14(16)7-12/h2,4,6-8,10H,1H3
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n/an/a 0.320n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345570
PNG
(3-(2-(pyridin-2-yl)ethynyl)-5-bromonitrobenzene | ...)
Show SMILES [O-][N+](=O)c1cc(Br)cc(c1)C#Cc1ccccn1
Show InChI InChI=1S/C13H7BrN2O2/c14-11-7-10(8-13(9-11)16(17)18)4-5-12-3-1-2-6-15-12/h1-3,6-9H
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n/an/a 0.390n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50364722
PNG
(CHEMBL1951661)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C18H14ClN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50224402
PNG
(8-(4-chlorophenyl)-1h-pyrrolo[2'',3'':4',5']pyrido...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
Show InChI InChI=1S/C17H9ClN4OS/c18-10-1-3-11(4-2-10)22-8-21-14-12-13-9(5-6-19-13)7-20-16(12)24-15(14)17(22)23/h1-8,19H
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n/an/a 0.400n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
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))
BDBM50215555
PNG
(2-(fluoromethyl)-4-(2-(3-fluorophenyl)ethynylthiaz...)
Show SMILES FCc1nc(cs1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C12H7F2NS/c13-7-12-15-11(8-16-12)5-4-9-2-1-3-10(14)6-9/h1-3,6,8H,7H2
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n/an/a 0.480n/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


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


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50215554
PNG
(2-(fluoromethyl)4-(2-(3-methoxyphenyl)ethynyl)thia...)
Show SMILES COc1cccc(c1)C#Cc1csc(CF)n1
Show InChI InChI=1S/C13H10FNOS/c1-16-12-4-2-3-10(7-12)5-6-11-9-17-13(8-14)15-11/h2-4,7,9H,8H2,1H3
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n/an/a 0.520n/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


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


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163592
PNG
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+
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n/an/a 0.550n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163613
PNG
((2,3-Dihydro-1H-cyclopenta[b]quinolin-7-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCc3cc2c1
Show InChI InChI=1S/C20H23NO2/c1-23-17-8-5-13(6-9-17)20(22)15-7-10-19-16(12-15)11-14-3-2-4-18(14)21-19/h7,10-13,17H,2-6,8-9H2,1H3/t13-,17+
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n/an/a 0.560n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345555
PNG
(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-nitrofluorob...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H7FN2O2S/c1-8-14-11(7-18-8)3-2-9-4-10(13)6-12(5-9)15(16)17/h4-7H,1H3
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n/an/a 0.610n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345560
PNG
(3-(2-(6-methylpyridin-2-yl)ethynyl)-5-nitrobromobe...)
Show SMILES Cc1cccc(n1)C#Cc1cc(Br)cc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN2O2/c1-10-3-2-4-13(16-10)6-5-11-7-12(15)9-14(8-11)17(18)19/h2-4,7-9H,1H3
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n/an/a 0.630n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345574
PNG
(3-(2-(pyridin-2-yl)ethynyl)-5-nitrofluorobenzene |...)
Show SMILES [O-][N+](=O)c1cc(F)cc(c1)C#Cc1ccccn1
Show InChI InChI=1S/C13H7FN2O2/c14-11-7-10(8-13(9-11)16(17)18)4-5-12-3-1-2-6-15-12/h1-3,6-9H
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n/an/a 0.660n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345573
PNG
(3-(2-(pyridin-2-yl)ethynyl)-5-iodobenzonitrile | C...)
Show SMILES Ic1cc(cc(c1)C#Cc1ccccn1)C#N
Show InChI InChI=1S/C14H7IN2/c15-13-8-11(7-12(9-13)10-16)4-5-14-3-1-2-6-17-14/h1-3,6-9H
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n/an/a 0.660n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345572
PNG
(3-(2-(pyridin-2-yl)ethynyl)-5-fluorobenzonitrile |...)
Show SMILES Fc1cc(cc(c1)C#Cc1ccccn1)C#N
Show InChI InChI=1S/C14H7FN2/c15-13-8-11(7-12(9-13)10-16)4-5-14-3-1-2-6-17-14/h1-3,6-9H
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n/an/a 0.660n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50224390
PNG
(8-(4-methylphenyl)-1h-pyrrolo[2'',3'':4',5']pyrido...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
Show InChI InChI=1S/C18H12N4OS/c1-10-2-4-12(5-3-10)22-9-21-15-13-14-11(6-7-19-14)8-20-17(13)24-16(15)18(22)23/h2-9,19H,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345563
PNG
(3-(2-(6-methylpyridin-2-yl)ethynyl)-5-iodobenzonit...)
Show SMILES Cc1cccc(n1)C#Cc1cc(I)cc(c1)C#N
Show InChI InChI=1S/C15H9IN2/c1-11-3-2-4-15(18-11)6-5-12-7-13(10-17)9-14(16)8-12/h2-4,7-9H,1H3
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n/an/a 0.710n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50215552
PNG
(3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethyny...)
Show SMILES FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2
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n/an/a 0.714n/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Activity at human recombinant mGluR5 in CHO cells assessed as inhibition of quisqualate-stimulated phosphoinositide hydrolysis


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50220087
PNG
(2-(3,5-dichlorophenyl)-7-methylpyrido[2,3-d]pyrimi...)
Show SMILES Cc1ccc2cnc(nc2n1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H9Cl2N3/c1-8-2-3-9-7-17-13(19-14(9)18-8)10-4-11(15)6-12(16)5-10/h2-7H,1H3
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n/an/a 0.720n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity at rat mGluR5 expressed in CHO cells assessed as inhibition of quisqualate stimulated calcium mobilization by FLIPR technology


Bioorg Med Chem Lett 17: 5396-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.047
BindingDB Entry DOI: 10.7270/Q2JH3KWK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


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

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50216746
PNG
(3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50364700
PNG
(CHEMBL1951872)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C17H12BrN3OS/c1-19-13-6-8-20-16-14(13)12-7-9-21(17(22)15(12)23-16)11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
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


(RAT)
BDBM50379862
PNG
(CHEMBL2011870)
Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C
Show InChI InChI=1/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/s2
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n/an/a 0.900n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50345947
PNG
(3-(4-Chloro-phenyl)-9-prop-2-ynylamino-3H-pyrido[3...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Show InChI InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)
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n/an/a 0.900n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163596
PNG
((2-Amino-3-ethyl-quinolin-6-yl)-(4-methoxy-cyclohe...)
Show SMILES CCc1cc2cc(ccc2nc1N)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C19H24N2O2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3,(H2,20,21)
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n/an/a 1n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177080
PNG
(3-azepan-1-yl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in 1321N1 cells


Bioorg Med Chem Lett 16: 4936-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.053
BindingDB Entry DOI: 10.7270/Q2C24W2W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50401688
PNG
(CHEMBL2205921)
Show SMILES CN(C)c1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C17H15N5OS/c1-10-4-6-11(7-5-10)22-9-20-13-12-15(21(2)3)18-8-19-16(12)24-14(13)17(22)23/h4-9H,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1


Bioorg Med Chem Lett 22: 7223-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.048
BindingDB Entry DOI: 10.7270/Q24B32GJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50401715
PNG
(CHEMBL2205922)
Show SMILES CN(C)c1ncnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C16H12ClN5OS/c1-21(2)14-11-12-13(24-15(11)19-7-18-14)16(23)22(8-20-12)10-5-3-9(17)4-6-10/h3-8H,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1


Bioorg Med Chem Lett 22: 7223-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.048
BindingDB Entry DOI: 10.7270/Q24B32GJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50401714
PNG
(CHEMBL2205923)
Show SMILES CN(C)c1ncnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C16H12BrN5OS/c1-21(2)14-11-12-13(24-15(11)19-7-18-14)16(23)22(8-20-12)10-5-3-9(17)4-6-10/h3-8H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1


Bioorg Med Chem Lett 22: 7223-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.048
BindingDB Entry DOI: 10.7270/Q24B32GJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177100
PNG
(3-Cycloheptyl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C18H22N4OS/c1-21(2)13-9-10-19-17-14(13)15-16(24-17)18(23)22(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177100
PNG
(3-Cycloheptyl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C18H22N4OS/c1-21(2)13-9-10-19-17-14(13)15-16(24-17)18(23)22(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345568
PNG
(3-(2-(5-methylpyridin-2-yl)ethynyl)-5-bromobenzoni...)
Show SMILES Cc1ccc(nc1)C#Cc1cc(Br)cc(c1)C#N
Show InChI InChI=1S/C15H9BrN2/c1-11-2-4-15(18-10-11)5-3-12-6-13(9-17)8-14(16)7-12/h2,4,6-8,10H,1H3
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n/an/a 1.02n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345571
PNG
(3-(2-(pyridin-2-yl)ethynyl)-5-chlorobenzonitrile |...)
Show SMILES Clc1cc(cc(c1)C#Cc1ccccn1)C#N
Show InChI InChI=1S/C14H7ClN2/c15-13-8-11(7-12(9-13)10-16)4-5-14-3-1-2-6-17-14/h1-3,6-9H
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n/an/a 1.03n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345554
PNG
(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-iodobenzonit...)
Show SMILES Cc1nc(cs1)C#Cc1cc(I)cc(c1)C#N
Show InChI InChI=1S/C13H7IN2S/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 1.05n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345553
PNG
(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-bromobenzoni...)
Show SMILES Cc1nc(cs1)C#Cc1cc(Br)cc(c1)C#N
Show InChI InChI=1S/C13H7BrN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3
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n/an/a 1.06n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50345937
PNG
(9-(Allyl-methyl-amino)-3-(4-chloro-phenyl)-3H-pyri...)
Show SMILES CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C19H15ClN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h3-9,11H,1,10H2,2H3
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n/an/a 1.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50240888
PNG
(CHEMBL4094256)
Show SMILES Clc1cccc(COc2cc(=O)n3[C@@H](Cc4ccccc4)COCc3n2)c1
Show InChI InChI=1/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/s2
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Pfizer Inc

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 expressed in HEK293 cells assessed as inhibition of glutamate-induced intracellular calcium accumulation ...


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM252685
PNG
(US9458176, 82)
Show SMILES CCOc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1
Show InChI InChI=1/C24H26F3N3O2/c1-5-31-21-12-17(6-7-19(21)24(25,26)27)23-29-22(18-10-14(2)28-15(3)11-18)20-8-9-32-16(4)13-30(20)23/h6-7,10-12,16H,5,8-9,13H2,1-4H3/t16-/s2
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n/an/a 1.10n/an/an/an/an/a25



Eisai R&D Management Co., Ltd

US Patent


Assay Description
The frozen cell membrane fraction prepared as described above was thawed before use, and the resultant was diluted with a buffer for a binding assay ...


US Patent US9458176 (2016)


BindingDB Entry DOI: 10.7270/Q2PK0F3D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345557
PNG
(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-bromofluorob...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(Br)c1
Show InChI InChI=1S/C12H7BrFNS/c1-8-15-12(7-16-8)3-2-9-4-10(13)6-11(14)5-9/h4-7H,1H3
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n/an/a 1.11n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50220096
PNG
(3-methoxy-5-(7-methylpyrido[2,3-d]pyrimidin-2-yl)b...)
Show SMILES COc1cc(cc(c1)-c1ncc2ccc(C)nc2n1)C#N
Show InChI InChI=1S/C16H12N4O/c1-10-3-4-12-9-18-15(20-16(12)19-10)13-5-11(8-17)6-14(7-13)21-2/h3-7,9H,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity at rat mGluR5 expressed in CHO cells assessed as inhibition of quisqualate stimulated calcium mobilization by FLIPR technology


Bioorg Med Chem Lett 17: 5396-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.047
BindingDB Entry DOI: 10.7270/Q2JH3KWK
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 1


(Homo sapiens (Human))
BDBM50163592
PNG
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+
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n/an/a 1.21n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345566
PNG
(3-(2-(5-methylpyridin-2-yl)ethynyl)-5-chlorobenzon...)
Show SMILES Cc1ccc(nc1)C#Cc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C15H9ClN2/c1-11-2-4-15(18-10-11)5-3-12-6-13(9-17)8-14(16)7-12/h2,4,6-8,10H,1H3
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n/an/a 1.22n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345561
PNG
(3-(2-(6-methylpyridin-2-yl)ethynyl)-5-chlorobenzon...)
Show SMILES Cc1cccc(n1)C#Cc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C15H9ClN2/c1-11-3-2-4-15(18-11)6-5-12-7-13(10-17)9-14(16)8-12/h2-4,7-9H,1H3
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n/an/a 1.22n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345562
PNG
(3-(2-(6-methylpyridin-2-yl)ethynyl)-5-fluorobenzon...)
Show SMILES Cc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C15H9FN2/c1-11-3-2-4-15(18-11)6-5-12-7-13(10-17)9-14(16)8-12/h2-4,7-9H,1H3
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n/an/a 1.22n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50345569
PNG
(3-(2-(pyridin-2-yl)ethynyl)-5-nitrobenzonitrile | ...)
Show SMILES [O-][N+](=O)c1cc(cc(c1)C#Cc1ccccn1)C#N
Show InChI InChI=1S/C14H7N3O2/c15-10-12-7-11(8-14(9-12)17(18)19)4-5-13-3-1-2-6-16-13/h1-3,6-9H
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n/an/a 1.32n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
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