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Compile Data Set for Download or QSAR

Found 1125 hits of ec50 data for polymerid = 49000742,50000109,50002136,5747,8283,8286   
Target
(Institution)
LigandTarget
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)
BDBM50094843
PNG
((+)-2-Amino-6-fluoro-4-oxo-bicyclo[3.1.0]hexane-2,...)
Show SMILES N[C@]1(CC(=O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1
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n/an/an/an/a 2.07n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3


J Med Chem 43: 4893-909 (2000)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus)
BDBM50138784
PNG
((1R,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-hydroxy-...)
Show SMILES N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m0/s1
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n/an/an/an/a 7n/an/an/an/a



Lilly, SA

Curated by ChEMBL


Assay Description
Metabotropic glutamate receptor 3 agonist activity against forskolin stimulated c-AMP formation in rat nonneuronal cells


J Med Chem 47: 456-66 (2004)

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 7.20n/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)

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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50116515
PNG
(CHEMBL3609729)
Show SMILES Cc1sc(Nc2nccc(C)n2)nc1-c1cn[nH]c1
Show InChI InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)
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n/an/an/an/a 9n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at rat mGlu4 receptor


Bioorg Med Chem Lett 25: 3956-60 (2015)

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)

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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus)
BDBM50138784
PNG
((1R,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-hydroxy-...)
Show SMILES N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Lilly, SA

Curated by ChEMBL


Assay Description
Metabotropic glutamate receptor 3 agonist activity against forskolin stimulated c-AMP formation in rat nonneuronal cells


J Med Chem 47: 456-66 (2004)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu4 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay


J Med Chem 59: 914-24 (2016)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Univ. Rouen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGluR4 expressed in HEK293 cells assessed as induction of inositol phosphate production by HTRF assay


Bioorg Med Chem Lett 25: 2523-6 (2015)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50217031
PNG
((1S,2R)-1-amino-2-phosphonomethylcyclopropane-carb...)
Show SMILES N[C@]1(C[C@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Univ. Rouen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGluR4 expressed in HEK293 cells assessed as induction of inositol phosphate production by HTRF assay


Bioorg Med Chem Lett 25: 2523-6 (2015)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM55087
PNG
(N-[3-chloranyl-4-[4-chloranyl-1,3-bis(oxidanyliden...)
Show SMILES Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C20H11Cl2N3O3/c21-13-5-3-4-12-17(13)20(28)25(19(12)27)16-8-7-11(10-14(16)22)24-18(26)15-6-1-2-9-23-15/h1-10H,(H,24,26)
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n/an/an/an/a 34.9n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at rat mGlu4 receptor by thallium flux assay


J Med Chem 54: 7639-47 (2011)

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=1/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)

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=1/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus)
BDBM50138781
PNG
((1S,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-methyl-c...)
Show SMILES C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O
Show InChI InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1
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n/an/an/an/a 38n/an/an/an/a



Lilly, SA

Curated by ChEMBL


Assay Description
Metabotropic glutamate receptor 3 agonist activity against forskolin stimulated c-AMP formation in rat nonneuronal cells


J Med Chem 47: 456-66 (2004)

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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus)
BDBM50397661
PNG
(EGLUMEGAD)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 38n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Agonist activity at mGLUR3 in rat cerebral cortex assessed as inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 22: 1958-62 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50220011
PNG
(CHEMBL243925 | L-(+)-2-amino-4-thiophosphonobutyri...)
Show SMILES N[C@@H](CCP(O)(O)=S)C(O)=O
Show InChI InChI=1S/C4H10NO4PS/c5-3(4(6)7)1-2-10(8,9)11/h3H,1-2,5H2,(H,6,7)(H2,8,9,11)/t3-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Université Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at rat mGluR4 receptor expressed HEK293 cells assessed as effect on inositol phosphate production


J Med Chem 50: 4656-64 (2007)

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)

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)

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)

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)

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=1/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)

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=1/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus)
BDBM50094841
PNG
((+)-2-Amino-3-fluoro-bicyclo[3.1.0]hexane-2,6-dica...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1
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n/an/an/an/a 45.4n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3


J Med Chem 43: 4893-909 (2000)

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=1/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-/s2
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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)

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50166956
PNG
(CHEMBL3798517)
Show SMILES CCc1cnc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)nc1
Show InChI InChI=1S/C18H16ClN5O2/c1-2-11-9-22-18(23-10-11)26-15-6-5-12(8-13(15)19)24-17(25)16-14(20)4-3-7-21-16/h3-10H,2,20H2,1H3,(H,24,25)
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n/an/an/an/a 47n/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University Medical Center, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at rat mGlu4 receptor


Bioorg Med Chem Lett 26: 2915-2919 (2016)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/an/an/a 58n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu3 receptor expressed in HEK293 cells by [35S]GTP-gamma binding assay


J Med Chem 59: 914-24 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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