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Compile Data Set for Download or QSAR

Found 699 hits of ec50 data for polymerid = 5747   
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


(Rattus norvegicus (Rat))
BDBM50392432
PNG
(CHEMBL2151817)
Show SMILES C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C
Show InChI InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1
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n/an/an/an/a 7.20n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392432
PNG
(CHEMBL2151817)
Show SMILES C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C
Show InChI InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1
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n/an/an/an/a 7.24n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


(Rattus norvegicus (Rat))
BDBM50392447
PNG
(CHEMBL2151815)
Show SMILES C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15(17-7-3-2-4-8-17)24-21(25)18-10-11-20(23-13-18)26-14-16-6-5-9-19(22)12-16/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,24,25)/t15-/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392447
PNG
(CHEMBL2151815)
Show SMILES C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15(17-7-3-2-4-8-17)24-21(25)18-10-11-20(23-13-18)26-14-16-6-5-9-19(22)12-16/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,24,25)/t15-/m1/s1
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n/an/an/an/a 15.1n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50337958
PNG
(CHEMBL1684242 | N-cyclobutyl-6-((3-fluorophenyl)et...)
Show SMILES Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1
Show InChI InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)
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n/an/an/an/a 16n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of rat


J Med Chem 47: 5825-8 (2004)


Article DOI: 10.1021/jm049400d
BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50156076
PNG
(CHEMBL191147 | N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3,...)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H15F2N3O/c23-18-12-11-16(13-19(18)24)22(28)25-21-14-20(15-7-3-1-4-8-15)26-27(21)17-9-5-2-6-10-17/h1-14H,(H,25,28)
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of rat


J Med Chem 47: 5825-8 (2004)


Article DOI: 10.1021/jm049400d
BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of rat


J Med Chem 47: 5825-8 (2004)


Article DOI: 10.1021/jm049400d
BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


(Rattus norvegicus (Rat))
BDBM50392439
PNG
(CHEMBL2151806)
Show SMILES Fc1cccc(COc2ccc(cn2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C19H21FN2O2/c20-16-6-4-5-14(11-16)13-24-18-10-9-15(12-21-18)19(23)22-17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8,13H2,(H,22,23)
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n/an/an/an/a 28.8n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392439
PNG
(CHEMBL2151806)
Show SMILES Fc1cccc(COc2ccc(cn2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C19H21FN2O2/c20-16-6-4-5-14(11-16)13-24-18-10-9-15(12-21-18)19(23)22-17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8,13H2,(H,22,23)
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n/an/an/an/a 29n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392425
PNG
(CHEMBL2151790)
Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
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n/an/an/an/a 33n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392438
PNG
(CHEMBL2151805)
Show SMILES O=C(NC1CCCCC1)c1ccc(OCc2ccccc2)nc1
Show InChI InChI=1S/C19H22N2O2/c22-19(21-17-9-5-2-6-10-17)16-11-12-18(20-13-16)23-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,21,22)
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n/an/an/an/a 33.9n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392438
PNG
(CHEMBL2151805)
Show SMILES O=C(NC1CCCCC1)c1ccc(OCc2ccccc2)nc1
Show InChI InChI=1S/C19H22N2O2/c22-19(21-17-9-5-2-6-10-17)16-11-12-18(20-13-16)23-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,21,22)
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n/an/an/an/a 34n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231741
PNG
(2-phenylethynyl-7,8-dihydro-6H-quinolin-5-one | CH...)
Show SMILES O=C1CCCc2nc(ccc12)C#Cc1ccccc1
Show InChI InChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2
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n/an/an/an/a 34n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 in Sprague-Dawley rat astrocyte assessed as L-quisqualate induced potensiation of intracellular calcium level by FLIPR ...


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50047409
PNG
(CHEMBL3309851)
Show SMILES Fc1ccc(cc1)C1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C20H17FN2O2/c21-15-8-6-14(7-9-15)18-10-11-23-19(20(18)24)12-16(22-23)13-25-17-4-2-1-3-5-17/h1-9,12,18H,10-11,13H2
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n/an/an/an/a 35n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 24: 3641-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.087
BindingDB Entry DOI: 10.7270/Q2GT5PT5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50047409
PNG
(CHEMBL3309851)
Show SMILES Fc1ccc(cc1)C1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C20H17FN2O2/c21-15-8-6-14(7-9-15)18-10-11-23-19(20(18)24)12-16(22-23)13-25-17-4-2-1-3-5-17/h1-9,12,18H,10-11,13H2
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n/an/an/an/a 35n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 24: 3641-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.087
BindingDB Entry DOI: 10.7270/Q2GT5PT5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


(Rattus norvegicus (Rat))
BDBM50156069
PNG
(CHEMBL365409 | N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O/c1-17-12-14-19(15-13-17)23(27)24-22-16-21(18-8-4-2-5-9-18)25-26(22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
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n/an/an/an/a 40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of rat


J Med Chem 47: 5825-8 (2004)


Article DOI: 10.1021/jm049400d
BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50047408
PNG
(CHEMBL3309852)
Show SMILES COc1ccccc1C1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C21H20N2O3/c1-25-20-10-6-5-9-17(20)18-11-12-23-19(21(18)24)13-15(22-23)14-26-16-7-3-2-4-8-16/h2-10,13,18H,11-12,14H2,1H3
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n/an/an/an/a 43n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 24: 3641-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.087
BindingDB Entry DOI: 10.7270/Q2GT5PT5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


(Rattus norvegicus (Rat))
BDBM50047408
PNG
(CHEMBL3309852)
Show SMILES COc1ccccc1C1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C21H20N2O3/c1-25-20-10-6-5-9-17(20)18-11-12-23-19(21(18)24)13-15(22-23)14-26-16-7-3-2-4-8-16/h2-10,13,18H,11-12,14H2,1H3
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n/an/an/an/a 44n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 24: 3641-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.087
BindingDB Entry DOI: 10.7270/Q2GT5PT5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122118
PNG
(CHEMBL3617495)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccccc3)nn12)c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O2/c1-14-12-23(17-9-7-15(21)8-10-17)20(25)19-11-16(22-24(14)19)13-26-18-5-3-2-4-6-18/h2-11,14H,12-13H2,1H3/t14-/m1/s1
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n/an/an/an/a 46n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122118
PNG
(CHEMBL3617495)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccccc3)nn12)c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O2/c1-14-12-23(17-9-7-15(21)8-10-17)20(25)19-11-16(22-24(14)19)13-26-18-5-3-2-4-6-18/h2-11,14H,12-13H2,1H3/t14-/m1/s1
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n/an/an/an/a 46n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50047407
PNG
(CHEMBL3310739)
Show SMILES O=C1c2cc(COc3ccccc3)nn2CCC11CCCC1
Show InChI InChI=1S/C18H20N2O2/c21-17-16-12-14(13-22-15-6-2-1-3-7-15)19-20(16)11-10-18(17)8-4-5-9-18/h1-3,6-7,12H,4-5,8-11,13H2
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n/an/an/an/a 48n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 24: 3641-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.087
BindingDB Entry DOI: 10.7270/Q2GT5PT5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50047407
PNG
(CHEMBL3310739)
Show SMILES O=C1c2cc(COc3ccccc3)nn2CCC11CCCC1
Show InChI InChI=1S/C18H20N2O2/c21-17-16-12-14(13-22-15-6-2-1-3-7-15)19-20(16)11-10-18(17)8-4-5-9-18/h1-3,6-7,12H,4-5,8-11,13H2
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n/an/an/an/a 48n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 24: 3641-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.087
BindingDB Entry DOI: 10.7270/Q2GT5PT5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


(Rattus norvegicus (Rat))
BDBM50156064
PNG
(CHEMBL362527 | N-(2,5-Diphenyl-2H-pyrazol-3-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16FN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)
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n/an/an/an/a 50n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of rat


J Med Chem 47: 5825-8 (2004)


Article DOI: 10.1021/jm049400d
BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


(Rattus norvegicus (Rat))
BDBM50416941
PNG
(CHEMBL1257595)
Show SMILES CCC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1cccs1
Show InChI InChI=1S/C20H18N4O2S2/c1-3-11-28-20-21-18-17(22-23-20)13-8-5-6-9-14(13)24(16(25)4-2)19(26-18)15-10-7-12-27-15/h3,5-10,12,19H,1,4,11H2,2H3/t19-/m0/s1
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n/an/an/an/a 57.5n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1 expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5922-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.061
BindingDB Entry DOI: 10.7270/Q2XS5WN3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a 60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.6-1.5)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


(Rattus norvegicus (Rat))
BDBM50022821
PNG
(CHEMBL3298275)
Show SMILES Clc1cccc(COc2ccc3C(=O)NCCc3n2)c1
Show InChI InChI=1S/C15H13ClN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)
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n/an/an/an/a 62n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...


J Med Chem 57: 5620-37 (2014)


Article DOI: 10.1021/jm500259z
BindingDB Entry DOI: 10.7270/Q2736SHB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


(Rattus norvegicus (Rat))
BDBM50156073
PNG
(CHEMBL194051 | N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-...)
Show SMILES Fc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16FN3O/c23-18-11-7-10-17(14-18)22(27)24-21-15-20(16-8-3-1-4-9-16)25-26(21)19-12-5-2-6-13-19/h1-15H,(H,24,27)
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n/an/an/an/a 65n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of rat


J Med Chem 47: 5825-8 (2004)


Article DOI: 10.1021/jm049400d
BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50402800
PNG
(CHEMBL2208412)
Show SMILES CC(N(c1ccccc1Cl)S(C)(=O)=O)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H16Cl2N2O3S/c1-11(16(21)19-13-7-5-6-12(17)10-13)20(24(2,22)23)15-9-4-3-8-14(15)18/h3-11H,1-2H3,(H,19,21)
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n/an/an/an/a 68n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Ago-positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells by fluorescence-based calcium flux assay


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


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


(Rattus norvegicus (Rat))
BDBM50064432
PNG
(CHEMBL3400160)
Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3cccc(F)c3)cn2C1=O
Show InChI InChI=1S/C19H15F2N3O2/c20-13-4-6-16(7-5-13)23-9-8-18-22-15(11-24(18)19(23)25)12-26-17-3-1-2-14(21)10-17/h1-7,10-11H,8-9,12H2
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n/an/an/an/a 69n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 1310-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.038
BindingDB Entry DOI: 10.7270/Q2057HNQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50064432
PNG
(CHEMBL3400160)
Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3cccc(F)c3)cn2C1=O
Show InChI InChI=1S/C19H15F2N3O2/c20-13-4-6-16(7-5-13)23-9-8-18-22-15(11-24(18)19(23)25)12-26-17-3-1-2-14(21)10-17/h1-7,10-11H,8-9,12H2
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n/an/an/an/a 69n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 1310-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.038
BindingDB Entry DOI: 10.7270/Q2057HNQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50402788
PNG
(CHEMBL2208408)
Show SMILES CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN2O3S/c1-22(20,21)18(14-10-6-5-9-13(14)16)11-15(19)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
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n/an/an/an/a 70n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Ago-positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells by fluorescence-based calcium flux assay


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122132
PNG
(CHEMBL3617497)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3cccc(F)c3)nn12)c1ccc(F)cc1
Show InChI InChI=1S/C20H17F2N3O2/c1-13-11-24(17-7-5-14(21)6-8-17)20(26)19-10-16(23-25(13)19)12-27-18-4-2-3-15(22)9-18/h2-10,13H,11-12H2,1H3/t13-/m1/s1
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n/an/an/an/a 72n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50402788
PNG
(CHEMBL2208408)
Show SMILES CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN2O3S/c1-22(20,21)18(14-10-6-5-9-13(14)16)11-15(19)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
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n/an/an/an/a 72.4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Ago-positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells by fluorescence-based calcium flux assay


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
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