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Compile Data Set for Download or QSAR

Found 1527 hits of ec50 data for polymerid = 5746,5747   
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 5


(Homo sapiens (Human))
BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES CCCCOC(=O)N1CCN(CC1)c1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26)
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n/an/an/an/a 0.830n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL




ACS Med Chem Lett 7: 289-93 (2016)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50156074
PNG
(1,2-bis(3-fluorobenzylidene)hydrazine | CHEMBL3718...)
Show SMILES Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
Show InChI InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
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n/an/an/an/a 2.36n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of human transfected into CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437097
PNG
(CHEMBL2403659)
Show SMILES CN1CCc2nc(sc2C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H12N2OS/c1-17-10-9-12-14(15(17)18)19-13(16-12)8-7-11-5-3-2-4-6-11/h2-6H,9-10H2,1H3
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n/an/an/an/a 2.40n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437077
PNG
(CHEMBL2403690)
Show SMILES Fc1cccc(c1)C#Cc1nc2CCN(Cc2s1)C(=O)C1CC(F)(F)C1
Show InChI InChI=1S/C19H15F3N2OS/c20-14-3-1-2-12(8-14)4-5-17-23-15-6-7-24(11-16(15)26-17)18(25)13-9-19(21,22)10-13/h1-3,8,13H,6-7,9-11H2
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n/an/an/an/a 2.5n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437089
PNG
(CHEMBL2403667)
Show SMILES O=C1N(Cc2nc(sc12)C#Cc1ccccc1)C1CCCC1
Show InChI InChI=1S/C18H16N2OS/c21-18-17-15(12-20(18)14-8-4-5-9-14)19-16(22-17)11-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-9,12H2
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n/an/an/an/a 2.5n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(c1)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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n/an/an/an/a 2.60n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL




ACS Med Chem Lett 7: 289-93 (2016)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437082
PNG
(CHEMBL2403684)
Show SMILES O=C(C1CC11CCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C21H20N2OS/c24-20(16-13-21(16)10-4-11-21)23-12-9-17-18(14-23)25-19(22-17)8-7-15-5-2-1-3-6-15/h1-3,5-6,16H,4,9-14H2
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n/an/an/an/a 3.90n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50390028
PNG
(CHEMBL2069398)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
Show InChI InChI=1S/C19H16FN3O2/c1-12-3-2-4-13(9-12)18-21-19(25-22-18)14-10-17(24)23(11-14)16-7-5-15(20)6-8-16/h2-9,14H,10-11H2,1H3
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n/an/an/an/a 5.10n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as stimulation of glutamate-induced calcium flux by FLIPR method


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50337494
PNG
(5-(phenylethynyl)isoindoline-1,3-dione | CHEMBL168...)
Show SMILES O=C1NC(=O)c2cc(ccc12)C#Cc1ccccc1
Show InChI InChI=1S/C16H9NO2/c18-15-13-9-8-12(10-14(13)16(19)17-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,17,18,19)
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n/an/an/an/a 5.90n/an/an/an/a



Vanderbilt Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor assessed as calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50344396
PNG
(6-cyclopentyl-2-(phenylethynyl)-7,8-dihydro-1,6-na...)
Show SMILES O=C1N(CCc2nc(ccc12)C#Cc1ccccc1)C1CCCC1
Show InChI InChI=1S/C21H20N2O/c24-21-19-13-12-17(11-10-16-6-2-1-3-7-16)22-20(19)14-15-23(21)18-8-4-5-9-18/h1-3,6-7,12-13,18H,4-5,8-9,14-15H2
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n/an/an/an/a 5.90n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as increase of L-glutamate-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169543
PNG
(CHEMBL3806078)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(c1)N1CCN(CCN2CCOCC2)CC1
Show InChI InChI=1S/C25H30N8O2/c26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31/h1-5,14,17-18H,6-13,15-16H2,(H2,26,27)
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n/an/an/an/a 6n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL




ACS Med Chem Lett 7: 289-93 (2016)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437143
PNG
(CHEMBL2403704)
Show SMILES O=C(N1CCCCC1)c1cnc(s1)C#Cc1ccccc1
Show InChI InChI=1S/C17H16N2OS/c20-17(19-11-5-2-6-12-19)15-13-18-16(21-15)10-9-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,11-12H2
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n/an/an/an/a 6.10n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(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


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(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


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50344398
PNG
(6-cyclopentyl-2-(m-tolylethynyl)-7,8-dihydro-1,6-n...)
Show SMILES Cc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
Show InChI InChI=1S/C22H22N2O/c1-16-5-4-6-17(15-16)9-10-18-11-12-20-21(23-18)13-14-24(22(20)25)19-7-2-3-8-19/h4-6,11-12,15,19H,2-3,7-8,13-14H2,1H3
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n/an/an/an/a 7.5n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as increase of L-glutamate-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437142
PNG
(CHEMBL2403589)
Show SMILES Clc1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C21H15ClN2OS/c22-17-8-4-7-16(13-17)21(25)24-12-11-18-19(14-24)26-20(23-18)10-9-15-5-2-1-3-6-15/h1-8,13H,11-12,14H2
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n/an/an/an/a 8.70n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50390029
PNG
(CHEMBL2069397)
Show SMILES Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O2/c19-13-3-1-2-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-6-4-14(20)5-7-15/h1-8,12H,9-10H2
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n/an/an/an/a 8.80n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as stimulation of glutamate-induced calcium flux by FLIPR method


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437083
PNG
(CHEMBL2403683)
Show SMILES CC1CC1C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C19H18N2OS/c1-13-11-15(13)19(22)21-10-9-16-17(12-21)23-18(20-16)8-7-14-5-3-2-4-6-14/h2-6,13,15H,9-12H2,1H3
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n/an/an/an/a 9.40n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(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


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437141
PNG
(CHEMBL2403584)
Show SMILES O=C(N1CCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C19H19N3OS/c23-19(21-11-4-5-12-21)22-13-10-16-17(14-22)24-18(20-16)9-8-15-6-2-1-3-7-15/h1-3,6-7H,4-5,10-14H2
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n/an/an/an/a 9.80n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
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 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of human transfected into CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50337957
PNG
((4-hydroxypiperidin-1-yl)(4-(phenylethynyl)phenyl)...)
Show SMILES OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C20H19NO2/c22-19-12-14-21(15-13-19)20(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,19,22H,12-15H2
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n/an/an/an/a 10n/an/an/an/a



Vanderbilt Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor assessed as calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
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 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of human transfected into CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(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


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50390029
PNG
(CHEMBL2069397)
Show SMILES Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O2/c19-13-3-1-2-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-6-4-14(20)5-7-15/h1-8,12H,9-10H2
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n/an/an/an/a 10.7n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as stimulation of glutamate-induced calcium flux by FLIPR method


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437140
PNG
(CHEMBL2403592)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C22H15F3N2OS/c23-22(24,25)17-8-4-7-16(13-17)21(28)27-12-11-18-19(14-27)29-20(26-18)10-9-15-5-2-1-3-6-15/h1-8,13H,11-12,14H2
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n/an/an/an/a 11n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50337495
PNG
(7-(phenylethynyl)-2H-pyrano[2,3-b]pyridin-4(3H)-on...)
Show SMILES O=C1CCOc2nc(ccc12)C#Cc1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h1-5,8-9H,10-11H2
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50337494
PNG
(5-(phenylethynyl)isoindoline-1,3-dione | CHEMBL168...)
Show SMILES O=C1NC(=O)c2cc(ccc12)C#Cc1ccccc1
Show InChI InChI=1S/C16H9NO2/c18-15-13-9-8-12(10-14(13)16(19)17-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,17,18,19)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50344405
PNG
(6-cyclopentyl-2-(thiophen-2-ylethynyl)-7,8-dihydro...)
Show SMILES O=C1N(CCc2nc(ccc12)C#Cc1cccs1)C1CCCC1
Show InChI InChI=1S/C19H18N2OS/c22-19-17-10-8-14(7-9-16-6-3-13-23-16)20-18(17)11-12-21(19)15-4-1-2-5-15/h3,6,8,10,13,15H,1-2,4-5,11-12H2
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as increase of L-glutamate-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50337953
PNG
(5-((2-fluorophenyl)ethynyl)isoindoline-1,3-dione |...)
Show SMILES Fc1ccccc1C#Cc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C16H8FNO2/c17-14-4-2-1-3-11(14)7-5-10-6-8-12-13(9-10)16(20)18-15(12)19/h1-4,6,8-9H,(H,18,19,20)
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n/an/an/an/a 12n/an/an/an/a



Vanderbilt Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor assessed as calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50337534
PNG
(4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7...)
Show SMILES CN1CCOc2cc(OC(=O)c3ccccc3)cnc12
Show InChI InChI=1S/C15H14N2O3/c1-17-7-8-19-13-9-12(10-16-14(13)17)20-15(18)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
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n/an/an/an/a 12.3n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50390028
PNG
(CHEMBL2069398)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
Show InChI InChI=1S/C19H16FN3O2/c1-12-3-2-4-13(9-12)18-21-19(25-22-18)14-10-17(24)23(11-14)16-7-5-15(20)6-8-16/h2-9,14H,10-11H2,1H3
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n/an/an/an/a 12.5n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as stimulation of glutamate-induced calcium flux by FLIPR method


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(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


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50344412
PNG
(6-cyclohexyl-2-(thiophen-2-ylethynyl)-7,8-dihydro-...)
Show SMILES O=C1N(CCc2nc(ccc12)C#Cc1cccs1)C1CCCCC1
Show InChI InChI=1S/C20H20N2OS/c23-20-18-11-9-15(8-10-17-7-4-14-24-17)21-19(18)12-13-22(20)16-5-2-1-3-6-16/h4,7,9,11,14,16H,1-3,5-6,12-13H2
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as increase of L-glutamate-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50278924
PNG
(CHEMBL505105 | N-methyl-5-(phenylethynyl)pyrimidin...)
Show SMILES CNc1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C13H11N3/c1-14-13-15-9-12(10-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3,(H,14,15,16)
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n/an/an/an/a 14n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation activity at mGlu5 receptor


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
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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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169480
PNG
(CHEMBL3805340)
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n/an/an/an/a 15n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL




ACS Med Chem Lett 7: 289-93 (2016)

More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(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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Vanderbilt University Medical Center

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(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


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
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 Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor assessed as calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(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


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50337508
PNG
(5-(phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyr...)
Show SMILES C1Cc2cc(cnc2N1)C#Cc1ccccc1
Show InChI InChI=1S/C15H12N2/c1-2-4-12(5-3-1)6-7-13-10-14-8-9-16-15(14)17-11-13/h1-5,10-11H,8-9H2,(H,16,17)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50337511
PNG
(3-methyl-6-(phenylethynyl)-3H-imidazo[4,5-b]pyridi...)
Show SMILES Cn1cnc2cc(cnc12)C#Cc1ccccc1
Show InChI InChI=1S/C15H11N3/c1-18-11-17-14-9-13(10-16-15(14)18)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3
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n/an/an/an/a 17n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437080
PNG
(CHEMBL2403687)
Show SMILES CC1CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2OS/c1-13-9-15(10-13)20(24)23-8-7-17-18(12-23)25-19(22-17)6-5-14-3-2-4-16(21)11-14/h2-4,11,13,15H,7-10,12H2,1H3
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Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437139
PNG
(CHEMBL2403702)
Show SMILES O=C([C@H]1CC2CCC1C2)N1CCc2nc(sc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C22H22N2OS/c25-22(18-13-16-6-8-17(18)12-16)24-11-10-19-20(14-24)26-21(23-19)9-7-15-4-2-1-3-5-15/h1-5,16-18H,6,8,10-14H2/t16?,17?,18-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


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More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(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


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437078
PNG
(CHEMBL2403689)
Show SMILES FC1(F)CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C19H16F2N2OS/c20-19(21)10-14(11-19)18(24)23-9-8-15-16(12-23)25-17(22-15)7-6-13-4-2-1-3-5-13/h1-5,14H,8-12H2
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n/an/an/an/a 18n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50437074
PNG
(CHEMBL2403693)
Show SMILES O=C(C1CCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N2OS/c23-20(16-8-4-5-9-16)22-13-12-17-18(14-22)24-19(21-17)11-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-9,12-14H2
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n/an/an/an/a 19n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
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 19n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of human transfected into CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate Receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM50293643
PNG
(CHEMBL551958 | N-cyclopentyl-6-(2-phenylethynyl)ni...)
Show SMILES O=C(NC1CCCC1)c1ccc(nc1)C#Cc1ccccc1
Show InChI InChI=1S/C19H18N2O/c22-19(21-18-8-4-5-9-18)16-11-13-17(20-14-16)12-10-15-6-2-1-3-7-15/h1-3,6-7,11,13-14,18H,4-5,8-9H2,(H,21,22)
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n/an/an/an/a 19n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as increase of L-glutamate-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
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