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Compile Data Set for Download or QSAR

Found 5003 hits of ec50 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 2


(Homo sapiens (Human))		BDBM50202406
PNG
((+)-(1R,2R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]h...)
Show SMILES N[C@]1(CS(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+,14?/m1/s1
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n/an/an/an/a 0.0890n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGluR2 assessed as effect on cAMP production in RGT cells

J Med Chem 50: 233-40 (2007)


Article DOI: 10.1021/jm060917u
BindingDB Entry DOI: 10.7270/Q21Z442N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50202406
PNG
((+)-(1R,2R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]h...)
Show SMILES N[C@]1(CS(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+,14?/m1/s1
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n/an/an/an/a 0.0890n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGluR2 assessed as effect on cAMP production in RGT cells

J Med Chem 50: 233-40 (2007)


Article DOI: 10.1021/jm060917u
BindingDB Entry DOI: 10.7270/Q21Z442N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50434136
PNG
(CHEMBL2381640)
Show SMILES N[C@]1(CC(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h3-5H,1,9H2,(H,11,12)(H,13,14)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 0.160n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 after 20 mins by HTRF assay

J Med Chem 56: 4442-55 (2013)


Article DOI: 10.1021/jm4000165
BindingDB Entry DOI: 10.7270/Q20003G4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50536711
PNG
(CHEMBL4550190)
Show SMILES Fc1ccc(cc1F)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H14F2N2O2/c23-18-9-8-16(11-19(18)24)21-20(26-22(27)28-21)17-10-15(12-25-13-17)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...

Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM160821
PNG
(US9682980, 3-(Cyclopropylmethyl)-7-(4-(3,6-difluor...)
Show SMILES COc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C22H22F5N5O/c1-33-20-15(24)5-4-14(23)18(20)13-6-8-31(9-7-13)16-11-28-32-17(10-12-2-3-12)29-30-21(32)19(16)22(25,26)27/h4-5,11-13H,2-3,6-10H2,1H3
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n/an/an/an/a 0.200n/an/a7.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS...

US Patent US9682980 (2017)


BindingDB Entry DOI: 10.7270/Q2J964JS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50536710
PNG
(CHEMBL4560002)
Show SMILES Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H15FN2O2/c23-19-10-8-17(9-11-19)21-20(25-22(26)27-21)18-12-16(13-24-14-18)7-6-15-4-2-1-3-5-15/h1-5,8-14,20-21H,(H,25,26)/t20-,21-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...

Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50209108
PNG
(CHEMBL3884532)
Show SMILES FC(F)(F)c1c(O[C@H]2CC[C@@H](CC2)c2ccccc2)ccn2c(CC3CC3)nnc12 |r,wU:10.13,wD:7.6,(11.67,-8.41,;12.88,-9.12,;12.63,-7.53,;11.37,-9.68,;14.21,-9.9,;14.21,-11.43,;12.87,-12.19,;12.86,-13.73,;11.51,-14.49,;11.5,-16.02,;12.82,-16.8,;14.16,-16.05,;14.18,-14.5,;12.8,-18.34,;11.46,-19.09,;11.44,-20.62,;12.77,-21.41,;14.11,-20.65,;14.12,-19.11,;15.54,-12.21,;16.87,-11.44,;16.88,-9.91,;18.02,-8.88,;19.53,-9.21,;20.62,-8.12,;21.02,-6.65,;22.11,-7.73,;17.41,-7.48,;15.88,-7.63,;15.55,-9.14,)|
Show InChI InChI=1S/C23H24F3N3O/c24-23(25,26)21-19(12-13-29-20(14-15-6-7-15)27-28-22(21)29)30-18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-5,12-13,15,17-18H,6-11,14H2/t17-,18-
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n/an/an/an/a 0.400n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells coexpressing rat glutamate transporter assessed as inhibition of for...

Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50209116
PNG
(CHEMBL3883435)
Show SMILES Fc1ccc(cc1)C1CC(C1)Oc1ccn2c(CC3CC3)nnc2c1C(F)(F)F |(14.5,-23.72,;14.51,-22.18,;13.18,-21.4,;13.19,-19.86,;14.53,-19.1,;15.86,-19.87,;15.85,-21.41,;14.54,-17.57,;13.46,-16.47,;14.56,-15.39,;15.64,-16.49,;14.57,-13.85,;15.92,-13.09,;17.25,-13.87,;18.58,-13.1,;18.59,-11.56,;19.73,-10.54,;21.24,-10.87,;22.33,-9.78,;22.74,-8.3,;23.83,-9.39,;19.12,-9.13,;17.58,-9.28,;17.26,-10.79,;15.92,-11.55,;14.59,-10.77,;13.37,-10.07,;14.34,-9.18,;13.07,-11.34,)|
Show InChI InChI=1S/C21H19F4N3O/c22-15-5-3-13(4-6-15)14-10-16(11-14)29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2
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n/an/an/an/a 0.400n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells coexpressing rat glutamate transporter assessed as inhibition of for...

Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM160822
PNG
(US9682980, 7-(4-(3,6-Difluoro-2-methoxyphenyl)pipe...)
Show SMILES COc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1C(F)(F)F
Show InChI InChI=1S/C20H17F8N5O/c1-34-17-12(22)3-2-11(21)15(17)10-4-6-32(7-5-10)13-9-29-33-14(8-19(23,24)25)30-31-18(33)16(13)20(26,27)28/h2-3,9-10H,4-8H2,1H3
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n/an/an/an/a 0.400n/an/a7.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS...

US Patent US9682980 (2017)


BindingDB Entry DOI: 10.7270/Q2J964JS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50209220
PNG
(CHEMBL3884187)
Show SMILES FC(F)(F)c1c(OC2CC(C2)c2ccccc2)ccn2c(CC3CC3)nnc12 |(13.37,-10.07,;14.59,-10.77,;14.34,-9.18,;13.07,-11.34,;15.92,-11.55,;15.92,-13.09,;14.57,-13.85,;14.56,-15.39,;13.46,-16.47,;14.54,-17.57,;15.64,-16.49,;14.53,-19.1,;13.19,-19.86,;13.18,-21.4,;14.51,-22.18,;15.85,-21.41,;15.86,-19.87,;17.25,-13.87,;18.58,-13.1,;18.59,-11.56,;19.73,-10.54,;21.24,-10.87,;22.33,-9.78,;22.74,-8.3,;23.83,-9.39,;19.12,-9.13,;17.58,-9.28,;17.26,-10.79,)|
Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)19-17(28-16-11-15(12-16)14-4-2-1-3-5-14)8-9-27-18(10-13-6-7-13)25-26-20(19)27/h1-5,8-9,13,15-16H,6-7,10-12H2
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n/an/an/an/a 0.5n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells coexpressing rat glutamate transporter assessed as inhibition of for...

Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50434135
PNG
(CHEMBL2381652)
Show SMILES N[C@]1(C[C@@H](F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H10FNO4/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3+,4+,5+,8+/m1/s1
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n/an/an/an/a 0.560n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 after 20 mins by HTRF assay

J Med Chem 56: 4442-55 (2013)


Article DOI: 10.1021/jm4000165
BindingDB Entry DOI: 10.7270/Q20003G4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		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 0.570n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Agonist activity at mGLUR2 expressed in CHO cells

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


Article DOI: 10.1016/j.bmcl.2012.01.039
BindingDB Entry DOI: 10.7270/Q2T72JJ1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		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 0.570n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity against Metabotropic glutamate receptor 2 expressed in CHO cells was evaluated by measuring forskolin-induced cyclic AMP formation

J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		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 0.570n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity against Metabotropic glutamate receptor 2 expressed in CHO cells was evaluated by measuring forskolin-induced cyclic AMP formation

J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50121540
PNG
(CHEMBL3616857)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
Show InChI InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)/t2-,3-,4-,5-,11-/m0/s1
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n/an/an/an/a 0.580n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mGlu2 receptor expressed in AV12 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 h...

J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50536713
PNG
(CHEMBL4588437)
Show SMILES Clc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H15ClN2O2/c23-19-10-8-17(9-11-19)21-20(25-22(26)27-21)18-12-16(13-24-14-18)7-6-15-4-2-1-3-5-15/h1-5,8-14,20-21H,(H,25,26)/t20-,21-/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...

Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50121539
PNG
(CHEMBL3616856)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)/t2-,3-,4-,5-,10-/m0/s1
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n/an/an/an/a 0.650n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mGlu2 receptor expressed in AV12 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 h...

J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50536704
PNG
(CHEMBL4580610)
Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cncc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-13-17(14-23-15-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...

Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
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 0.800n/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...

Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
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


Assay Description
Positive allosteric modulation of human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as potent...

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


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50536719
PNG
(CHEMBL4517787)
Show SMILES Clc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H15ClN2O2/c23-19-8-4-7-17(12-19)21-20(25-22(26)27-21)18-11-16(13-24-14-18)10-9-15-5-2-1-3-6-15/h1-8,11-14,20-21H,(H,25,26)/t20-,21-/m1/s1
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n/an/an/an/a 0.900n/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...

Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D
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/an/a 1.10n/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
Positive allosteric modulation of human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes assessed as increase in glutamate-induced...

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))		BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
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 1.10n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Positive allosteric modulation activity at human mGluR5A expressed in HEK293(ZF) cells co-expressing rat glutamate-aspartate transporter assessed as ...

Bioorg Med Chem Lett 26: 5871-5876 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.014
BindingDB Entry DOI: 10.7270/Q2SB47RG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50536717
PNG
(CHEMBL4574977)
Show SMILES Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#Cc2ccccc2)c(F)c1 |r|
Show InChI InChI=1S/C22H14F2N2O2/c23-17-8-9-18(19(24)11-17)21-20(26-22(27)28-21)16-10-15(12-25-13-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1
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n/an/an/an/a 1.20n/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...

Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50434134
PNG
(CHEMBL2381641)
Show SMILES N[C@]1(CC(=C)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C9H11NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h4-6H,1-2,10H2,(H,11,12)(H,13,14)/t4-,5-,6-,9-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 after 20 mins by HTRF assay

J Med Chem 56: 4442-55 (2013)


Article DOI: 10.1021/jm4000165
BindingDB Entry DOI: 10.7270/Q20003G4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50209117
PNG
(CHEMBL3884636)
Show SMILES FC(F)(F)c1c(OCC2CC2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2
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n/an/an/an/a 1.30n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells coexpressing rat glutamate transporter assessed as inhibition of for...

Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50209103
PNG
(CHEMBL3885379)
Show SMILES FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 |r|
Show InChI InChI=1S/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2/t14-,16-/m1/s1
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n/an/an/an/a 1.40n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells coexpressing rat glutamate transporter assessed as inhibition of for...

Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50536709
PNG
(CHEMBL4537236)
Show SMILES Fc1ccccc1[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H15FN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...

Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50536708
PNG
(CHEMBL4556501)
Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1ccnc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)17-9-5-2-6-10-17)18-13-14-23-19(15-18)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/m1/s1
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...

Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50209189
PNG
(CHEMBL3883634)
Show SMILES Fc1ccc(cc1)C1CC1COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C21H19F4N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2
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n/an/an/an/a 1.70n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells coexpressing rat glutamate transporter assessed as inhibition of for...

Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50209221
PNG
(CHEMBL3884094)
Show SMILES FC(F)(F)c1c(OCC2(CCCCC2)c2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C24H26F3N3O/c25-24(26,27)21-19(11-14-30-20(15-17-9-10-17)28-29-22(21)30)31-16-23(12-5-2-6-13-23)18-7-3-1-4-8-18/h1,3-4,7-8,11,14,17H,2,5-6,9-10,12-13,15-16H2
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n/an/an/an/a 1.80n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells coexpressing rat glutamate transporter assessed as inhibition of for...

Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM160772
PNG
(US9682980, 8-Chloro-3-(cyclopropylmethyl)-7-(4-(2-...)
Show SMILES FC(F)Oc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C21H20ClF4N5O/c22-18-15(10-27-31-16(9-11-1-2-11)28-29-20(18)31)30-7-5-12(6-8-30)17-13(23)3-4-14(24)19(17)32-21(25)26/h3-4,10-12,21H,1-2,5-9H2
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n/an/an/an/a 2n/an/a7.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS...

US Patent US9682980 (2017)


BindingDB Entry DOI: 10.7270/Q2J964JS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM160743
PNG
(US9682980, 8-Chloro-7-(4-(2-fluoro-6-methoxyphenyl...)
Show SMILES COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
Show InChI InChI=1S/C19H18ClF4N5O/c1-30-14-4-2-3-12(21)16(14)11-5-7-28(8-6-11)13-10-25-29-15(9-19(22,23)24)26-27-18(29)17(13)20/h2-4,10-11H,5-9H2,1H3
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n/an/an/an/a 2n/an/a7.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS...

US Patent US9682980 (2017)


BindingDB Entry DOI: 10.7270/Q2J964JS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(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

J Med Chem 47: 5825-8 (2004)


Article DOI: 10.1021/jm049400d
BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(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 ...

Bioorg Med Chem Lett 23: 4037-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.070
BindingDB Entry DOI: 10.7270/Q24M95XN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(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 ...

Bioorg Med Chem Lett 23: 4037-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.070
BindingDB Entry DOI: 10.7270/Q24M95XN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(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 ...

Bioorg Med Chem Lett 23: 4037-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.070
BindingDB Entry DOI: 10.7270/Q24M95XN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50194614
PNG
(CHEMBL3901998)
Show SMILES CC1(CCCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)C1)c1ccccc1
Show InChI InChI=1S/C24H27F3N4/c1-23(19-6-3-2-4-7-19)11-5-12-30(16-23)15-18-10-13-31-20(14-17-8-9-17)28-29-22(31)21(18)24(25,26)27/h2-4,6-7,10,13,17H,5,8-9,11-12,14-16H2,1H3
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n/an/an/an/a 2.60n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...

J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
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


Assay Description
Positive allosteric modulation of human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as potent...

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


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
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


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...

Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 2.69n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human mGLUR2 assessed as inhibition of forskolin-stimulated cAMP production by cell-based assay

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


Article DOI: 10.1016/j.bmcl.2012.01.039
BindingDB Entry DOI: 10.7270/Q2T72JJ1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGluR2 assessed as effect on cAMP production in RGT cells

J Med Chem 50: 233-40 (2007)


Article DOI: 10.1021/jm060917u
BindingDB Entry DOI: 10.7270/Q21Z442N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP production in RGT cells expressingrecombinant human Metabotropic glutamate receptor 2

J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
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/an/a 2.90n/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
Positive allosteric modulation of human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes assessed as increase in glutamate-induced...

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))		BDBM511435
PNG
((-)-(1R,5S)-2-[5-(2,5-Difluoro-phenylethynyl)-pyri...)
Show SMILES CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cc(F)ccc1F |r|
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n/an/an/an/a 3n/an/an/an/a


TBA

Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q23X89SX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM160773
PNG
(US9682980, 8-Chloro-7-(4-(2-(difluoromethoxy)-3,6-...)
Show SMILES FC(F)Oc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
Show InChI InChI=1S/C19H15ClF7N5O/c20-15-12(8-28-32-13(7-19(25,26)27)29-30-17(15)32)31-5-3-9(4-6-31)14-10(21)1-2-11(22)16(14)33-18(23)24/h1-2,8-9,18H,3-7H2
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n/an/an/an/a 3n/an/a7.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS...

US Patent US9682980 (2017)


BindingDB Entry DOI: 10.7270/Q2J964JS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM160573
PNG
(US9682980, 3-(Cyclopropylmethyl)-7-(4-phenylpiperi...)
Show SMILES FC(F)(F)c1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H22F3N5/c22-21(23,24)19-17(13-25-29-18(12-14-6-7-14)26-27-20(19)29)28-10-8-16(9-11-28)15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2
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n/an/an/an/a 3n/an/a7.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS...

US Patent US9682980 (2017)


BindingDB Entry DOI: 10.7270/Q2J964JS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM160807
PNG
(US9682980, 3-(Cyclopropylmethyl)-7-(4-(2-fluoro-6-...)
Show SMILES COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C22H23F4N5O/c1-32-17-4-2-3-15(23)19(17)14-7-9-30(10-8-14)16-12-27-31-18(11-13-5-6-13)28-29-21(31)20(16)22(24,25)26/h2-4,12-14H,5-11H2,1H3
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n/an/an/an/a 3n/an/a7.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS...

US Patent US9682980 (2017)


BindingDB Entry DOI: 10.7270/Q2J964JS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM160739
PNG
(US9682980, 8-Chloro-3-(cyclopropylmethyl)-7-(4-(2-...)
Show SMILES COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C21H23ClFN5O/c1-29-17-4-2-3-15(23)19(17)14-7-9-27(10-8-14)16-12-24-28-18(11-13-5-6-13)25-26-21(28)20(16)22/h2-4,12-14H,5-11H2,1H3
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n/an/an/an/a 3n/an/a7.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS...

US Patent US9682980 (2017)


BindingDB Entry DOI: 10.7270/Q2J964JS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50343325
PNG
(CHEMBL1774233 | cis-2-(((3R,4R)-4-(2-fluoro-4-(tri...)
Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1F)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F4N4/c1-13-11-29(12-19-27-20-18(28(19)2)4-3-8-26-20)9-7-15(13)16-6-5-14(10-17(16)22)21(23,24)25/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR2 expressed in HEK293 cells co-expressing Galpha15 G protein assessed as increase in glutamate-induced i...

J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
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