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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50048231   
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))
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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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-JNJ-40068782 from human mGlu2 receptor expressed in HEK293 cell membranes coexpressing rat glutamate transporter measured after ...


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
Potassium voltage-gated channel subfamily H member 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/a 380n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


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
Cytochrome P450 2C19


(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/a 620n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C19 (unknown origin)


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 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 530n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at humanized monkey mGlu2 receptor expressed in HEK293 cells co-expressing Gqi5 measured for 3 mins by Fluo-4 dye based FLIPR assay


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))
BDBM50209104
PNG
(CHEMBL3885072)
Show SMILES Clc1c(OC2CCc3ccccc3C2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C20H20ClN3O/c21-19-17(25-16-8-7-14-3-1-2-4-15(14)12-16)9-10-24-18(11-13-5-6-13)22-23-20(19)24/h1-4,9-10,13,16H,5-8,11-12H2
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n/an/an/an/a 18n/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))
BDBM50209105
PNG
(CHEMBL3883462)
Show SMILES Clc1c(OCc2ccccn2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C16H15ClN4O/c17-15-13(22-10-12-3-1-2-7-18-12)6-8-21-14(9-11-4-5-11)19-20-16(15)21/h1-3,6-8,11H,4-5,9-10H2
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n/an/an/an/a>3.00E+3n/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))
BDBM50209106
PNG
(CHEMBL3884042)
Show SMILES Clc1c(OCc2cccc(c2)-c2cncnc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C21H18ClN5O/c22-20-18(6-7-27-19(9-14-4-5-14)25-26-21(20)27)28-12-15-2-1-3-16(8-15)17-10-23-13-24-11-17/h1-3,6-8,10-11,13-14H,4-5,9,12H2
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n/an/an/an/a 720n/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))
BDBM50209107
PNG
(CHEMBL3884170)
Show SMILES Clc1ccc(COc2ccn3c(CC4CC4)nnc3c2Cl)cc1
Show InChI InChI=1S/C17H15Cl2N3O/c18-13-5-3-12(4-6-13)10-23-14-7-8-22-15(9-11-1-2-11)20-21-17(22)16(14)19/h3-8,11H,1-2,9-10H2
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n/an/an/an/a 60n/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))
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))
BDBM50209109
PNG
(CHEMBL3884075)
Show SMILES Clc1ccccc1COc1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C17H15Cl2N3O/c18-13-4-2-1-3-12(13)10-23-14-7-8-22-15(9-11-5-6-11)20-21-17(22)16(14)19/h1-4,7-8,11H,5-6,9-10H2
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n/an/an/an/a 11n/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))
BDBM50209110
PNG
(CHEMBL3885277)
Show SMILES Clc1c(OCc2ccccc2-c2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C23H20ClN3O/c24-22-20(12-13-27-21(14-16-10-11-16)25-26-23(22)27)28-15-18-8-4-5-9-19(18)17-6-2-1-3-7-17/h1-9,12-13,16H,10-11,14-15H2
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n/an/an/an/a 20n/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))
BDBM50209111
PNG
(CHEMBL3883585)
Show SMILES Clc1c(OCc2ccc3ccccc3c2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C21H18ClN3O/c22-20-18(9-10-25-19(12-14-5-6-14)23-24-21(20)25)26-13-15-7-8-16-3-1-2-4-17(16)11-15/h1-4,7-11,14H,5-6,12-13H2
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n/an/an/an/a 29n/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))
BDBM50209112
PNG
(CHEMBL3883487)
Show SMILES Clc1c(OCc2cccnc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C16H15ClN4O/c17-15-13(22-10-12-2-1-6-18-9-12)5-7-21-14(8-11-3-4-11)19-20-16(15)21/h1-2,5-7,9,11H,3-4,8,10H2
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n/an/an/an/a>1.50E+4n/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))
BDBM50209113
PNG
(CHEMBL3883827)
Show SMILES Clc1c(OCCc2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C18H18ClN3O/c19-17-15(23-11-9-13-4-2-1-3-5-13)8-10-22-16(12-14-6-7-14)20-21-18(17)22/h1-5,8,10,14H,6-7,9,11-12H2
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n/an/an/an/a 32n/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))
BDBM50209114
PNG
(CHEMBL3885115)
Show SMILES FC(F)(F)c1c(OCC(F)(F)c2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C19H16F5N3O/c20-18(21,13-4-2-1-3-5-13)11-28-14-8-9-27-15(10-12-6-7-12)25-26-17(27)16(14)19(22,23)24/h1-5,8-9,12H,6-7,10-11H2
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n/an/an/an/a 6.10n/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))
BDBM50209115
PNG
(CHEMBL3884343)
Show SMILES CC(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F4N3O/c1-12(14-4-6-15(21)7-5-14)11-28-16-8-9-27-17(10-13-2-3-13)25-26-19(27)18(16)20(22,23)24/h4-9,12-13H,2-3,10-11H2,1H3
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n/an/an/an/a 10n/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))
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))
BDBM50209118
PNG
(CHEMBL3885265)
Show SMILES Fc1ccc(cc1)C1(COc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Show InChI InChI=1S/C21H19F4N3O/c22-15-5-3-14(4-6-15)20(8-9-20)12-29-16-7-10-28-17(11-13-1-2-13)26-27-19(28)18(16)21(23,24)25/h3-7,10,13H,1-2,8-9,11-12H2
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n/an/an/an/a 16n/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))
BDBM50209138
PNG
(CHEMBL3883923)
Show SMILES Clc1cccc(Cl)c1-c1ccn2c(nnc2c1)C1CCCCCC1
Show InChI InChI=1S/C19H19Cl2N3/c20-15-8-5-9-16(21)18(15)14-10-11-24-17(12-14)22-23-19(24)13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2
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n/an/an/an/a 2.70E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production by hi...


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))
BDBM50209139
PNG
(CHEMBL3885312)
Show SMILES FC(F)(F)c1c(OCC2(CC2)c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C21H19ClF3N3O/c22-15-5-3-14(4-6-15)20(8-9-20)12-29-16-7-10-28-17(11-13-1-2-13)26-27-19(28)18(16)21(23,24)25/h3-7,10,13H,1-2,8-9,11-12H2
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n/an/an/an/a 13n/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))
BDBM50209140
PNG
(CHEMBL3885097)
Show SMILES Clc1cccc(COc2ccn3c(CC4CC4)nnc3c2Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O/c18-13-3-1-2-12(8-13)10-23-14-6-7-22-15(9-11-4-5-11)20-21-17(22)16(14)19/h1-3,6-8,11H,4-5,9-10H2
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n/an/an/an/a 17n/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))
BDBM50209142
PNG
(CHEMBL3884833)
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-/m0/s1
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n/an/an/an/a 4n/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 3


(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 890n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu3 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production measu...


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))
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))
BDBM50209200
PNG
(CHEMBL3885492)
Show SMILES Clc1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C17H16ClN3O/c18-16-14(22-11-13-4-2-1-3-5-13)8-9-21-15(10-12-6-7-12)19-20-17(16)21/h1-5,8-9,12H,6-7,10-11H2
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n/an/an/an/a 180n/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))
BDBM50209216
PNG
(CHEMBL3883801)
Show SMILES Clc1c(OCc2ccc(cc2)-c2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C23H20ClN3O/c24-22-20(12-13-27-21(14-16-6-7-16)25-26-23(22)27)28-15-17-8-10-19(11-9-17)18-4-2-1-3-5-18/h1-5,8-13,16H,6-7,14-15H2
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n/an/an/an/a 6.80n/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))
BDBM50209217
PNG
(CHEMBL3885353)
Show SMILES FC(F)(F)c1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C18H16F3N3O/c19-18(20,21)16-14(25-11-13-4-2-1-3-5-13)8-9-24-15(10-12-6-7-12)22-23-17(16)24/h1-5,8-9,12H,6-7,10-11H2
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n/an/an/an/a 28n/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))
BDBM50209219
PNG
(CHEMBL3884936)
Show SMILES CC(C)(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClF3N3O/c1-20(2,14-5-7-15(22)8-6-14)12-29-16-9-10-28-17(11-13-3-4-13)26-27-19(28)18(16)21(23,24)25/h5-10,13H,3-4,11-12H2,1-2H3
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n/an/an/an/a 5.5n/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))
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))
BDBM50209217
PNG
(CHEMBL3885353)
Show SMILES FC(F)(F)c1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C18H16F3N3O/c19-18(20,21)16-14(25-11-13-4-2-1-3-5-13)8-9-24-15(10-12-6-7-12)22-23-17(16)24/h1-5,8-9,12H,6-7,10-11H2
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n/an/an/an/a 28n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production by hi...


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))
BDBM50209102
PNG
(CHEMBL3884332)
Show SMILES CC(C)(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C21H21F4N3O/c1-20(2,14-5-7-15(22)8-6-14)12-29-16-9-10-28-17(11-13-3-4-13)26-27-19(28)18(16)21(23,24)25/h5-10,13H,3-4,11-12H2,1-2H3
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n/an/an/an/a 11n/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))
BDBM50209099
PNG
(CHEMBL3885396)
Show SMILES Clc1c(OCc2cccc(c2)-c2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C23H20ClN3O/c24-22-20(11-12-27-21(14-16-9-10-16)25-26-23(22)27)28-15-17-5-4-8-19(13-17)18-6-2-1-3-7-18/h1-8,11-13,16H,9-10,14-15H2
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n/an/an/an/a 13n/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))
BDBM50209101
PNG
(CHEMBL3885493)
Show SMILES Clc1c(OCc2cccc3ccncc23)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C20H17ClN4O/c21-19-17(7-9-25-18(10-13-4-5-13)23-24-20(19)25)26-12-15-3-1-2-14-6-8-22-11-16(14)15/h1-3,6-9,11,13H,4-5,10,12H2
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n/an/an/an/a 230n/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