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Compile Data Set for Download or QSAR

Found 55 hits of kd data for polymerid = 49000732,50002136,5746,5747,8283,8286,8880   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50318382
PNG
(3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...)
Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12|
Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+
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n/an/an/a 0.600n/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 ligand binding site 1 in Sprague-Dawley rat brain P2 membrane after 45 mins by gamma counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257555
PNG
(CHEMBL4074664)
Show SMILES Cc1ccc(Oc2ccc(cc2Cl)-c2ccn3c(CC4CC4)nnc3c2Cl)c(C)n1
Show InChI InChI=1S/C23H20Cl2N4O/c1-13-3-7-19(14(2)26-13)30-20-8-6-16(12-18(20)24)17-9-10-29-21(11-15-4-5-15)27-28-23(29)22(17)25/h3,6-10,12,15H,4-5,11H2,1-2H3
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n/an/an/a 1n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257595
PNG
(CHEMBL4087196)
Show SMILES Fc1cc(ccc1NC1CC1)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C20H18F4N4/c21-15-10-12(3-6-16(15)25-13-4-5-13)14-7-8-28-17(9-11-1-2-11)26-27-19(28)18(14)20(22,23)24/h3,6-8,10-11,13,25H,1-2,4-5,9H2
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n/an/an/a 1.10n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257606
PNG
(CHEMBL4073628)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CC2)c(Cl)c1
Show InChI InChI=1S/C20H18ClF3N4/c21-15-10-12(3-6-16(15)25-13-4-5-13)14-7-8-28-17(9-11-1-2-11)26-27-19(28)18(14)20(22,23)24/h3,6-8,10-11,13,25H,1-2,4-5,9H2
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n/an/an/a 1.20n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257518
PNG
(CHEMBL4063313)
Show SMILES O[C@@]1(CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F)C1CC1 |r,wU:1.0,4.7,(52.8,-12.87,;53.57,-11.55,;54.91,-10.78,;54.92,-9.24,;53.59,-8.48,;52.25,-9.24,;52.24,-10.77,;53.59,-6.94,;54.92,-6.17,;56.26,-6.94,;57.59,-6.17,;57.59,-4.61,;56.25,-3.85,;54.92,-4.62,;53.59,-3.85,;58.92,-3.84,;60.25,-4.61,;61.58,-3.84,;61.58,-2.29,;62.72,-1.26,;64.23,-1.57,;64.71,-3.04,;64.4,-4.54,;65.86,-4.06,;62.09,.15,;60.56,-.02,;60.24,-1.53,;58.91,-2.3,;57.57,-1.53,;57.57,.01,;56.24,-2.31,;56.23,-.76,;54.33,-12.88,;54.33,-14.41,;55.66,-13.65,)|
Show InChI InChI=1S/C26H28ClF3N4O/c27-20-14-16(3-6-21(20)31-18-7-10-25(35,11-8-18)17-4-5-17)19-9-12-34-22(13-15-1-2-15)32-33-24(34)23(19)26(28,29)30/h3,6,9,12,14-15,17-18,31,35H,1-2,4-5,7-8,10-11,13H2/t18-,25+
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n/an/an/a 1.5n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257517
PNG
(CHEMBL4093657)
Show SMILES COc1ccc(CNc2ccc(cc2)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
Show InChI InChI=1S/C24H22F3N5O/c1-33-21-9-4-16(14-29-21)13-28-18-7-5-17(6-8-18)19-10-11-32-20(12-15-2-3-15)30-31-23(32)22(19)24(25,26)27/h4-11,14-15,28H,2-3,12-13H2,1H3
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n/an/an/a 2n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257523
PNG
(CHEMBL4067298)
Show SMILES CCOCc1nnc2c(c(ccn12)-c1ccc(Oc2ccc(C)nc2C)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H20F4N4O2/c1-4-32-12-20-29-30-22-21(23(25,26)27)16(9-10-31(20)22)15-6-8-19(17(24)11-15)33-18-7-5-13(2)28-14(18)3/h5-11H,4,12H2,1-3H3
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n/an/an/a 2.10n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257605
PNG
(CHEMBL4088239)
Show SMILES CC(C)Nc1ccc(cc1F)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C20H20F4N4/c1-11(2)25-16-6-5-13(10-15(16)21)14-7-8-28-17(9-12-3-4-12)26-27-19(28)18(14)20(22,23)24/h5-8,10-12,25H,3-4,9H2,1-2H3
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n/an/an/a 2.20n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/an/a 2.25n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST by scintillation counting


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50198702
PNG
((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...)
Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7|
Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
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n/an/an/a 2.30n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity at mGluR5 in rat brain membrane


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257524
PNG
(CHEMBL4080973)
Show SMILES Cc1ccc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(C)n1
Show InChI InChI=1S/C24H20F4N4O/c1-13-3-7-19(14(2)29-13)33-20-8-6-16(12-18(20)25)17-9-10-32-21(11-15-4-5-15)30-31-23(32)22(17)24(26,27)28/h3,6-10,12,15H,4-5,11H2,1-2H3
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n/an/an/a 2.5n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257525
PNG
(CHEMBL4091370)
Show SMILES COc1ccc(CNc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
Show InChI InChI=1S/C24H21F4N5O/c1-34-21-7-4-15(13-30-21)12-29-19-6-5-16(11-18(19)25)17-8-9-33-20(10-14-2-3-14)31-32-23(33)22(17)24(26,27)28/h4-9,11,13-14,29H,2-3,10,12H2,1H3
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n/an/an/a 2.90n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257548
PNG
(CHEMBL4104081)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,wD:1.0,(25.74,-27.82,;25.74,-26.28,;27.08,-25.52,;27.09,-23.97,;25.76,-23.21,;24.42,-23.97,;24.41,-25.5,;25.76,-21.67,;27.09,-20.9,;28.43,-21.67,;29.76,-20.9,;29.76,-19.35,;28.42,-18.59,;27.09,-19.36,;25.76,-18.59,;31.08,-18.58,;32.42,-19.35,;33.75,-18.58,;33.75,-17.03,;34.89,-16,;36.4,-16.31,;36.88,-17.77,;36.57,-19.28,;38.03,-18.8,;34.26,-14.59,;32.73,-14.76,;32.41,-16.27,;31.08,-17.04,;29.74,-16.27,;29.74,-14.73,;28.41,-17.05,;28.4,-15.5,)|
Show InChI InChI=1S/C23H24ClF3N4O/c24-18-12-14(3-8-19(18)28-15-4-6-16(32)7-5-15)17-9-10-31-20(11-13-1-2-13)29-30-22(31)21(17)23(25,26)27/h3,8-10,12-13,15-16,28,32H,1-2,4-7,11H2/t15-,16-
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n/an/an/a 3n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257551
PNG
(CHEMBL4077609)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,wD:1.0,(54.3,-43.98,;54.3,-42.44,;55.64,-41.67,;55.65,-40.12,;54.31,-39.36,;52.98,-40.12,;52.97,-41.66,;54.32,-37.83,;55.65,-37.06,;56.98,-37.83,;58.32,-37.06,;58.32,-35.5,;56.98,-34.74,;55.65,-35.51,;54.32,-34.74,;59.64,-34.73,;60.98,-35.5,;62.31,-34.73,;62.31,-33.19,;63.45,-32.15,;64.95,-32.46,;65.44,-33.93,;65.13,-35.43,;66.59,-34.95,;62.81,-30.75,;61.29,-30.91,;60.97,-32.42,;59.63,-33.19,;58.3,-32.43,;58.29,-30.89,;56.97,-33.2,;56.95,-31.65,)|
Show InChI InChI=1S/C23H23ClF3N3O2/c24-18-12-14(3-8-19(18)32-16-6-4-15(31)5-7-16)17-9-10-30-20(11-13-1-2-13)28-29-22(30)21(17)23(25,26)27/h3,8-10,12-13,15-16,31H,1-2,4-7,11H2/t15-,16-
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n/an/an/a 3n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257602
PNG
(CHEMBL4093792)
Show SMILES Cc1ccc(Oc2ccc(cc2F)-c2ccn3c(CC(F)(F)F)nnc3c2Cl)c(C)n1
Show InChI InChI=1S/C21H15ClF4N4O/c1-11-3-5-16(12(2)27-11)31-17-6-4-13(9-15(17)23)14-7-8-30-18(10-21(24,25)26)28-29-20(30)19(14)22/h3-9H,10H2,1-2H3
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n/an/an/a 3.30n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257593
PNG
(CHEMBL4067421)
Show SMILES CC(C)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C20H20ClF3N4/c1-11(2)25-16-6-5-13(10-15(16)21)14-7-8-28-17(9-12-3-4-12)26-27-19(28)18(14)20(22,23)24/h5-8,10-12,25H,3-4,9H2,1-2H3
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n/an/an/a 3.40n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257546
PNG
(CHEMBL4064589)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C22H22ClF3N4O/c23-17-12-14(3-4-18(17)27-15-6-9-31-10-7-15)16-5-8-30-19(11-13-1-2-13)28-29-21(30)20(16)22(24,25)26/h3-5,8,12-13,15,27H,1-2,6-7,9-11H2
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n/an/an/a 3.80n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/an/a 3.80n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in absence of MPEP


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/an/a 5.5n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in presence of 10 nM MPEP


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257596
PNG
(CHEMBL4060306)
Show SMILES Clc1cc(ccc1NC1CC1)-c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C19H18Cl2N4/c20-15-10-12(3-6-16(15)22-13-4-5-13)14-7-8-25-17(9-11-1-2-11)23-24-19(25)18(14)21/h3,6-8,10-11,13,22H,1-2,4-5,9H2
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n/an/an/a 6.10n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/an/a 7.20n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in presence of 20 nM MPEP


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257556
PNG
(CHEMBL4101354)
Show SMILES Cc1ccc(Oc2ccc(cc2Cl)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(C)n1
Show InChI InChI=1S/C24H20ClF3N4O/c1-13-3-7-19(14(2)29-13)33-20-8-6-16(12-18(20)25)17-9-10-32-21(11-15-4-5-15)30-31-23(32)22(17)24(26,27)28/h3,6-10,12,15H,4-5,11H2,1-2H3
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n/an/an/a 7.30n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257599
PNG
(CHEMBL4100691)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl |r,wU:4.7,1.0,(6.79,-30.4,;6.8,-28.86,;5.47,-28.08,;5.47,-26.55,;6.81,-25.79,;8.14,-26.55,;8.14,-28.09,;6.81,-24.25,;8.15,-23.48,;9.48,-24.25,;10.82,-23.48,;10.81,-21.93,;9.48,-21.16,;8.15,-21.93,;6.81,-21.16,;12.14,-21.15,;13.47,-21.92,;14.8,-21.15,;14.8,-19.61,;15.94,-18.57,;17.45,-18.89,;17.93,-20.35,;16.91,-21.5,;19.44,-20.66,;18.32,-21.83,;15.31,-17.17,;13.78,-17.34,;13.47,-18.84,;12.13,-19.61,;10.79,-18.85,)|
Show InChI InChI=1S/C20H18Cl2F3N3O2/c21-15-9-11(1-6-16(15)30-13-4-2-12(29)3-5-13)14-7-8-28-17(10-20(23,24)25)26-27-19(28)18(14)22/h1,6-9,12-13,29H,2-5,10H2/t12-,13+
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n/an/an/a 8.10n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/an/a 8.60n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST by scintillation counting


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257576
PNG
(CHEMBL4072262)
Show SMILES Fc1cc(ccc1Oc1ccnc(c1)C1CC1)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C25H20F4N4O/c26-19-12-16(5-6-21(19)34-17-7-9-30-20(13-17)15-3-4-15)18-8-10-33-22(11-14-1-2-14)31-32-24(33)23(18)25(27,28)29/h5-10,12-15H,1-4,11H2
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n/an/an/a 8.60n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257603
PNG
(CHEMBL4076786)
Show SMILES COc1ccc(COc2ccc(cc2)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
Show InChI InChI=1S/C24H21F3N4O2/c1-32-21-9-4-16(13-28-21)14-33-18-7-5-17(6-8-18)19-10-11-31-20(12-15-2-3-15)29-30-23(31)22(19)24(25,26)27/h4-11,13,15H,2-3,12,14H2,1H3
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n/an/an/a 8.70n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257559
PNG
(CHEMBL4103808)
Show SMILES Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)ccn1
Show InChI InChI=1S/C23H18F4N4O/c1-13-10-16(6-8-28-13)32-19-5-4-15(12-18(19)24)17-7-9-31-20(11-14-2-3-14)29-30-22(31)21(17)23(25,26)27/h4-10,12,14H,2-3,11H2,1H3
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n/an/an/a 9.20n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/an/a 9.40n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 in Sprague-Dawley rat striatum after 60 mins by autoradiographic analysis


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257509
PNG
(CHEMBL4076639)
Show SMILES O[C@H]1CC[C@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,1.0,(26.17,-42.93,;26.17,-41.39,;24.84,-40.61,;24.85,-39.08,;26.19,-38.32,;27.52,-39.08,;27.51,-40.62,;26.19,-36.78,;27.52,-36.01,;28.85,-36.78,;30.19,-36.01,;30.19,-34.46,;28.85,-33.69,;27.52,-34.46,;26.19,-33.69,;31.51,-33.68,;32.85,-34.45,;34.18,-33.68,;34.18,-32.14,;35.32,-31.1,;36.82,-31.42,;37.31,-32.88,;37,-34.38,;38.46,-33.9,;34.69,-29.7,;33.16,-29.87,;32.84,-31.37,;31.5,-32.14,;30.17,-31.38,;30.16,-29.84,;28.84,-32.15,;28.82,-30.61,)|
Show InChI InChI=1S/C23H24ClF3N4O/c24-18-12-14(3-8-19(18)28-15-4-6-16(32)7-5-15)17-9-10-31-20(11-13-1-2-13)29-30-22(31)21(17)23(25,26)27/h3,8-10,12-13,15-16,28,32H,1-2,4-7,11H2/t15-,16+
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n/an/an/a 10n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257519
PNG
(CHEMBL4075417)
Show SMILES Cc1ccc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C)c(C)n1
Show InChI InChI=1S/C24H23FN4O/c1-14-4-8-21(16(3)26-14)30-22-9-7-18(13-20(22)25)19-10-11-29-23(12-17-5-6-17)27-28-24(29)15(19)2/h4,7-11,13,17H,5-6,12H2,1-3H3
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n/an/an/a 10n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257550
PNG
(CHEMBL4075762)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl |r,wU:4.7,wD:1.0,(51.9,-27.77,;51.91,-26.23,;53.25,-25.46,;53.26,-23.92,;51.92,-23.16,;50.58,-23.92,;50.58,-25.45,;51.92,-21.62,;53.26,-20.85,;54.59,-21.62,;55.93,-20.85,;55.92,-19.3,;54.59,-18.53,;53.26,-19.3,;51.93,-18.53,;57.25,-18.52,;58.59,-19.29,;59.91,-18.52,;59.91,-16.98,;61.05,-15.94,;62.56,-16.26,;63.04,-17.72,;62.02,-18.87,;64.55,-18.03,;63.44,-19.2,;60.42,-14.54,;58.89,-14.71,;58.58,-16.21,;57.24,-16.99,;55.91,-16.22,)|
Show InChI InChI=1S/C20H19Cl2F3N4O/c21-15-9-11(1-6-16(15)26-12-2-4-13(30)5-3-12)14-7-8-29-17(10-20(23,24)25)27-28-19(29)18(14)22/h1,6-9,12-13,26,30H,2-5,10H2/t12-,13-
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n/an/an/a 11n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257604
PNG
(CHEMBL4075697)
Show SMILES CC(C)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(Oc2ccc(C)nc2C)c(F)c1
Show InChI InChI=1S/C26H27FN4O/c1-15(2)25-20(11-12-31-24(13-18-6-7-18)29-30-26(25)31)19-8-10-23(21(27)14-19)32-22-9-5-16(3)28-17(22)4/h5,8-12,14-15,18H,6-7,13H2,1-4H3
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n/an/an/a 11n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257545
PNG
(CHEMBL4067290)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(OC2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C22H21ClF3N3O2/c23-17-12-14(3-4-18(17)31-15-6-9-30-10-7-15)16-5-8-29-19(11-13-1-2-13)27-28-21(29)20(16)22(24,25)26/h3-5,8,12-13,15H,1-2,6-7,9-11H2
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n/an/an/a 12n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257601
PNG
(CHEMBL4089955)
Show SMILES Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cc(C)n1
Show InChI InChI=1S/C24H20F4N4O/c1-13-9-17(10-14(2)29-13)33-20-6-5-16(12-19(20)25)18-7-8-32-21(11-15-3-4-15)30-31-23(32)22(18)24(26,27)28/h5-10,12,15H,3-4,11H2,1-2H3
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n/an/an/a 12n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257594
PNG
(CHEMBL4089416)
Show SMILES Fc1cc(ccc1NC1CC1)-c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C19H18ClFN4/c20-18-14(12-3-6-16(15(21)10-12)22-13-4-5-13)7-8-25-17(9-11-1-2-11)23-24-19(18)25/h3,6-8,10-11,13,22H,1-2,4-5,9H2
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n/an/an/a 13n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257520
PNG
(CHEMBL4074421)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1Cl |r,wU:4.7,wD:1.0,(23.64,-13.67,;23.65,-12.13,;24.99,-11.36,;25,-9.82,;23.66,-9.06,;22.33,-9.82,;22.32,-11.35,;23.67,-7.52,;25,-6.75,;26.33,-7.52,;27.67,-6.75,;27.67,-5.2,;26.33,-4.43,;25,-5.2,;23.67,-4.43,;28.99,-4.42,;30.33,-5.19,;31.65,-4.42,;31.66,-2.88,;32.8,-1.84,;34.3,-2.16,;34.78,-3.62,;34.47,-5.12,;35.94,-4.64,;32.16,-.44,;30.63,-.61,;30.32,-2.11,;28.98,-2.88,;27.65,-2.12,)|
Show InChI InChI=1S/C22H24Cl2N4O/c23-18-12-14(3-8-19(18)25-15-4-6-16(29)7-5-15)17-9-10-28-20(11-13-1-2-13)26-27-22(28)21(17)24/h3,8-10,12-13,15-16,25,29H,1-2,4-7,11H2/t15-,16-
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n/an/an/a 13n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50318382
PNG
(3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...)
Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12|
Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+
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n/an/an/a 13.7n/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 ligand binding site 2 in Sprague-Dawley rat brain P2 membrane after 45 mins by gamma counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257554
PNG
(CHEMBL4075258)
Show SMILES Cc1ccc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)c(C)n1
Show InChI InChI=1S/C23H20ClFN4O/c1-13-3-7-19(14(2)26-13)30-20-8-6-16(12-18(20)25)17-9-10-29-21(11-15-4-5-15)27-28-23(29)22(17)24/h3,6-10,12,15H,4-5,11H2,1-2H3
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n/an/an/a 15n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257526
PNG
(CHEMBL4072134)
Show SMILES COc1ccc(CNc2ccc(cc2)-c2ccn3c(CC4CC4)nnc3c2Cl)cn1
Show InChI InChI=1S/C23H22ClN5O/c1-30-21-9-4-16(14-26-21)13-25-18-7-5-17(6-8-18)19-10-11-29-20(12-15-2-3-15)27-28-23(29)22(19)24/h4-11,14-15,25H,2-3,12-13H2,1H3
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n/an/an/a 16n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257597
PNG
(CHEMBL4075537)
Show SMILES COc1ccc(COc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
Show InChI InChI=1S/C24H20F4N4O2/c1-33-21-7-4-15(12-29-21)13-34-19-6-5-16(11-18(19)25)17-8-9-32-20(10-14-2-3-14)30-31-23(32)22(17)24(26,27)28/h4-9,11-12,14H,2-3,10,13H2,1H3
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n/an/an/a 16n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257567
PNG
(CHEMBL4081244)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl |r,wU:4.7,wD:1.0,(6.62,-15.31,;6.63,-13.77,;7.96,-13,;7.97,-11.46,;6.64,-10.7,;5.3,-11.46,;5.3,-12.99,;6.64,-9.16,;7.98,-8.39,;9.31,-9.16,;10.65,-8.39,;10.64,-6.84,;9.31,-6.07,;7.98,-6.84,;6.64,-6.07,;11.97,-6.06,;13.3,-6.83,;14.63,-6.06,;14.63,-4.52,;15.77,-3.48,;17.28,-3.8,;17.76,-5.26,;16.73,-6.41,;19.27,-5.57,;18.15,-6.74,;15.14,-2.08,;13.61,-2.25,;13.3,-3.75,;11.96,-4.53,;10.62,-3.76,)|
Show InChI InChI=1S/C20H18Cl2F3N3O2/c21-15-9-11(1-6-16(15)30-13-4-2-12(29)3-5-13)14-7-8-28-17(10-20(23,24)25)26-27-19(28)18(14)22/h1,6-9,12-13,29H,2-5,10H2/t12-,13-
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n/an/an/a 17n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257600
PNG
(CHEMBL4066051)
Show SMILES Cc1ccc(Oc2ccc(cc2Cl)-c2ccn3c(CC4CC4)nnc3c2C)c(C)n1
Show InChI InChI=1S/C24H23ClN4O/c1-14-4-8-21(16(3)26-14)30-22-9-7-18(13-20(22)25)19-10-11-29-23(12-17-5-6-17)27-28-24(29)15(19)2/h4,7-11,13,17H,5-6,12H2,1-3H3
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n/an/an/a 17n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257592
PNG
(CHEMBL4062535)
Show SMILES CC(C)Nc1ccc(cc1F)-c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C19H20ClFN4/c1-11(2)22-16-6-5-13(10-15(16)21)14-7-8-25-17(9-12-3-4-12)23-24-19(25)18(14)20/h5-8,10-12,22H,3-4,9H2,1-2H3
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n/an/an/a 20n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257598
PNG
(CHEMBL4092275)
Show SMILES Clc1cc(ccc1NC1CCOCC1)-c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C21H22Cl2N4O/c22-17-12-14(3-4-18(17)24-15-6-9-28-10-7-15)16-5-8-27-19(11-13-1-2-13)25-26-21(27)20(16)23/h3-5,8,12-13,15,24H,1-2,6-7,9-11H2
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n/an/an/a 20n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257560
PNG
(CHEMBL4085882)
Show SMILES CCc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)ccn1
Show InChI InChI=1S/C23H20ClFN4O/c1-2-16-13-17(7-9-26-16)30-20-6-5-15(12-19(20)25)18-8-10-29-21(11-14-3-4-14)27-28-23(29)22(18)24/h5-10,12-14H,2-4,11H2,1H3
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n/an/an/a 23n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257521
PNG
(CHEMBL4089612)
Show SMILES CCOCc1nnc2c(Cl)c(ccn12)-c1ccc(Oc2ccc(C)nc2C)c(F)c1
Show InChI InChI=1S/C22H20ClFN4O2/c1-4-29-12-20-26-27-22-21(23)16(9-10-28(20)22)15-6-8-19(17(24)11-15)30-18-7-5-13(2)25-14(18)3/h5-11H,4,12H2,1-3H3
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n/an/an/a 25n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257527
PNG
(CHEMBL4088960)
Show SMILES Clc1cc(ccc1OC1CCOCC1)-c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C21H21Cl2N3O2/c22-17-12-14(3-4-18(17)28-15-6-9-27-10-7-15)16-5-8-26-19(11-13-1-2-13)24-25-21(26)20(16)23/h3-5,8,12-13,15H,1-2,6-7,9-11H2
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n/an/an/a 28n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257558
PNG
(CHEMBL4093620)
Show SMILES Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)ccn1
Show InChI InChI=1S/C22H18ClFN4O/c1-13-10-16(6-8-25-13)29-19-5-4-15(12-18(19)24)17-7-9-28-20(11-14-2-3-14)26-27-22(28)21(17)23/h4-10,12,14H,2-3,11H2,1H3
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n/an/an/a 38n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257572
PNG
(CHEMBL4075593)
Show SMILES Fc1cc(ccc1Oc1ccnc(c1)C1CC1)-c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C24H20ClFN4O/c25-23-18(8-10-30-22(11-14-1-2-14)28-29-24(23)30)16-5-6-21(19(26)12-16)31-17-7-9-27-20(13-17)15-3-4-15/h5-10,12-15H,1-4,11H2
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n/an/an/a 43n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50051571
PNG
(CHEMBL3337510)
Show SMILES O=c1c(C#N)c(ccn1CC1CC1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2
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n/an/an/a 51n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
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