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PubMed code 17964783

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
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 (mGluR2)


(Homo sapiens (Human))
BDBM50225795
PNG
((E)-3-(8-(cyanomethoxy)-4-oxo-7-(2-phenylethynyl)-...)
Show SMILES O=C1CC(=Nc2cc(OCC#N)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C26H16N4O2/c27-11-12-32-25-15-24-23(14-21(25)10-9-18-5-2-1-3-6-18)30-26(31)16-22(29-24)20-8-4-7-19(13-20)17-28/h1-8,13-15H,12,16H2,(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225793
PNG
((E)-N-tert-butyl-2-(4-(3-cyanophenyl)-2-oxo-8-(2-p...)
Show SMILES CC(C)(C)NC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C30H26N4O3/c1-30(2,3)34-29(36)19-37-27-16-26-25(15-23(27)13-12-20-8-5-4-6-9-20)33-28(35)17-24(32-26)22-11-7-10-21(14-22)18-31/h4-11,14-16H,17,19H2,1-3H3,(H,33,35)(H,34,36)
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n/an/a 26n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225811
PNG
((E)-4-phenyl-8-(2-phenylethynyl)-1H-benzo[b][1,4]d...)
Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H16N2O/c26-23-16-21(19-9-5-2-6-10-19)24-20-14-13-18(15-22(20)25-23)12-11-17-7-3-1-4-8-17/h1-10,13-15H,16H2,(H,25,26)
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n/an/a 26n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225826
PNG
((E)-3-(8-(2-methoxyethoxy)-4-oxo-7-(2-phenylethyny...)
Show SMILES COCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H21N3O3/c1-32-12-13-33-26-16-25-24(15-22(26)11-10-19-6-3-2-4-7-19)30-27(31)17-23(29-25)21-9-5-8-20(14-21)18-28/h2-9,14-16H,12-13,17H2,1H3,(H,30,31)
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n/an/a 28n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225821
PNG
((E)-3-(7-(2-(2-fluorophenyl)ethynyl)-4-oxo-4,5-dih...)
Show SMILES Fc1ccccc1C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H14FN3O/c25-20-7-2-1-5-18(20)10-8-16-9-11-21-23(13-16)28-24(29)14-22(27-21)19-6-3-4-17(12-19)15-26/h1-7,9,11-13H,14H2,(H,28,29)
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n/an/a 30n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225803
PNG
((E)-3-(4-oxo-7-(2-(thiophen-2-yl)ethynyl)-4,5-dihy...)
Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1cccs1)c1cccc(c1)C#N
Show InChI InChI=1S/C22H13N3OS/c23-14-16-3-1-4-17(11-16)20-13-22(26)25-21-12-15(7-9-19(21)24-20)6-8-18-5-2-10-27-18/h1-5,7,9-12H,13H2,(H,25,26)
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n/an/a 32n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225809
PNG
((E)-3-(7-(2-(4-fluorophenyl)ethynyl)-4-oxo-4,5-dih...)
Show SMILES Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H14FN3O/c25-20-9-6-16(7-10-20)4-5-17-8-11-21-23(13-17)28-24(29)14-22(27-21)19-3-1-2-18(12-19)15-26/h1-3,6-13H,14H2,(H,28,29)
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n/an/a 34n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225814
PNG
((E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-be...)
Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H15N3O/c25-16-19-7-4-8-20(13-19)22-15-24(28)27-23-14-18(11-12-21(23)26-22)10-9-17-5-2-1-3-6-17/h1-8,11-14H,15H2,(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225800
PNG
((E)-3-(4-oxo-7-(2-phenylethynyl)-8-thiomorpholino-...)
Show SMILES O=C1CC(=Nc2cc(N3CCSCC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C28H22N4OS/c29-19-21-7-4-8-22(15-21)24-18-28(33)31-25-16-23(10-9-20-5-2-1-3-6-20)27(17-26(25)30-24)32-11-13-34-14-12-32/h1-8,15-17H,11-14,18H2,(H,31,33)
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n/an/a 40n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225817
PNG
((E)-3-(8-(dimethylamino)-4-oxo-7-(2-phenylethynyl)...)
Show SMILES CN(C)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C26H20N4O/c1-30(2)25-15-24-23(14-21(25)12-11-18-7-4-3-5-8-18)29-26(31)16-22(28-24)20-10-6-9-19(13-20)17-27/h3-10,13-15H,16H2,1-2H3,(H,29,31)
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n/an/a 60n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225807
PNG
((E)-3-(4-oxo-7-(2-p-tolylethynyl)-4,5-dihydro-3H-b...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H17N3O/c1-17-5-7-18(8-6-17)9-10-19-11-12-22-24(14-19)28-25(29)15-23(27-22)21-4-2-3-20(13-21)16-26/h2-8,11-14H,15H2,1H3,(H,28,29)
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n/an/a 64n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225798
PNG
((E)-3-(7-(2-(4-methoxyphenyl)ethynyl)-4-oxo-4,5-di...)
Show SMILES COc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H17N3O2/c1-30-21-10-7-17(8-11-21)5-6-18-9-12-22-24(14-18)28-25(29)15-23(27-22)20-4-2-3-19(13-20)16-26/h2-4,7-14H,15H2,1H3,(H,28,29)
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n/an/a 68n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225801
PNG
((E)-3-(7-(2-(2-chlorophenyl)ethynyl)-4-oxo-4,5-dih...)
Show SMILES Clc1ccccc1C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H14ClN3O/c25-20-7-2-1-5-18(20)10-8-16-9-11-21-23(13-16)28-24(29)14-22(27-21)19-6-3-4-17(12-19)15-26/h1-7,9,11-13H,14H2,(H,28,29)
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n/an/a 76n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225805
PNG
((E)-4-(3-chlorophenyl)-8-(2-phenylethynyl)-1H-benz...)
Show SMILES Clc1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
Show InChI InChI=1S/C23H15ClN2O/c24-19-8-4-7-18(14-19)21-15-23(27)26-22-13-17(11-12-20(22)25-21)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2,(H,26,27)
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n/an/a 80n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225796
PNG
((E)-3-(8-(4-methoxypiperidin-1-yl)-4-oxo-7-(2-phen...)
Show SMILES COC1CCN(CC1)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C30H26N4O2/c1-36-25-12-14-34(15-13-25)29-18-28-27(17-24(29)11-10-21-6-3-2-4-7-21)33-30(35)19-26(32-28)23-9-5-8-22(16-23)20-31/h2-9,16-18,25H,12-15,19H2,1H3,(H,33,35)
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n/an/a 82n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225812
PNG
((E)-3-(8-methoxy-4-oxo-7-(2-phenylethynyl)-4,5-dih...)
Show SMILES COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H17N3O2/c1-30-24-14-23-22(13-20(24)11-10-17-6-3-2-4-7-17)28-25(29)15-21(27-23)19-9-5-8-18(12-19)16-26/h2-9,12-14H,15H2,1H3,(H,28,29)
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n/an/a 92n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225802
PNG
((E)-4-(3-iodophenyl)-8-(2-phenylethynyl)-1H-benzo[...)
Show SMILES Ic1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
Show InChI InChI=1S/C23H15IN2O/c24-19-8-4-7-18(14-19)21-15-23(27)26-22-13-17(11-12-20(22)25-21)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2,(H,26,27)
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n/an/a 154n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225825
PNG
(3-[8-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-4-oxo...)
Show SMILES O=C1CC(=Nc2cc(N3CCS(=O)(=O)CC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C28H22N4O3S/c29-19-21-7-4-8-22(15-21)24-18-28(33)31-25-16-23(10-9-20-5-2-1-3-6-20)27(17-26(25)30-24)32-11-13-36(34,35)14-12-32/h1-8,15-17H,11-14,18H2,(H,31,33)
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n/an/a 160n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225804
PNG
(8-(2-phenylethynyl)-4-(3-(trifluoromethyl)phenyl)-...)
Show SMILES FC(F)(F)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
Show InChI InChI=1S/C24H15F3N2O/c25-24(26,27)19-8-4-7-18(14-19)21-15-23(30)29-22-13-17(11-12-20(22)28-21)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2,(H,29,30)
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n/an/a 268n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225820
PNG
((E)-3-(8-(4-methylpiperazin-1-yl)-4-oxo-7-(2-pheny...)
Show SMILES CN1CCN(CC1)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C29H25N5O/c1-33-12-14-34(15-13-33)28-18-27-26(17-24(28)11-10-21-6-3-2-4-7-21)32-29(35)19-25(31-27)23-9-5-8-22(16-23)20-30/h2-9,16-18H,12-15,19H2,1H3,(H,32,35)
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n/an/a 278n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225824
PNG
((E)-3-(4-oxo-7-(2-(thiazol-2-yl)ethynyl)-4,5-dihyd...)
Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1nccs1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H12N4OS/c22-13-15-2-1-3-16(10-15)18-12-20(26)25-19-11-14(4-6-17(19)24-18)5-7-21-23-8-9-27-21/h1-4,6,8-11H,12H2,(H,25,26)
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n/an/a 300n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225823
PNG
((E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-be...)
Show SMILES NC(=O)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
Show InChI InChI=1S/C24H17N3O2/c25-24(29)19-8-4-7-18(14-19)21-15-23(28)27-22-13-17(11-12-20(22)26-21)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2,(H2,25,29)(H,27,28)
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n/an/a 358n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225819
PNG
((E)-4-(3-(morpholine-4-carbonyl)phenyl)-8-(2-pheny...)
Show SMILES O=C(N1CCOCC1)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
Show InChI InChI=1S/C28H23N3O3/c32-27-19-25(22-7-4-8-23(18-22)28(33)31-13-15-34-16-14-31)29-24-12-11-21(17-26(24)30-27)10-9-20-5-2-1-3-6-20/h1-8,11-12,17-18H,13-16,19H2,(H,30,32)
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n/an/a 360n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225816
PNG
((E)-3-(8-morpholino-4-oxo-7-(2-phenylethynyl)-4,5-...)
Show SMILES O=C1CC(=Nc2cc(N3CCOCC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C28H22N4O2/c29-19-21-7-4-8-22(15-21)24-18-28(33)31-25-16-23(10-9-20-5-2-1-3-6-20)27(17-26(25)30-24)32-11-13-34-14-12-32/h1-8,15-17H,11-14,18H2,(H,31,33)
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n/an/a 378n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225806
PNG
((E)-3-(7-(3-methylbut-3-en-1-ynyl)-4-oxo-4,5-dihyd...)
Show SMILES CC(=C)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H15N3O/c1-14(2)6-7-15-8-9-18-20(11-15)24-21(25)12-19(23-18)17-5-3-4-16(10-17)13-22/h3-5,8-11H,1,12H2,2H3,(H,24,25)
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n/an/a 400n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225808
PNG
(3-[4-oxo-8-(1-oxo-1lambda4-thiomorpholin-4-yl)-7-p...)
Show SMILES O=C1CC(=Nc2cc(N3CCS(=O)CC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C28H22N4O2S/c29-19-21-7-4-8-22(15-21)24-18-28(33)31-25-16-23(10-9-20-5-2-1-3-6-20)27(17-26(25)30-24)32-11-13-35(34)14-12-32/h1-8,15-17H,11-14,18H2,(H,31,33)
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n/an/a 446n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225827
PNG
((E)-3-(7-(2-(2,4-difluorophenyl)ethynyl)-4-oxo-4,5...)
Show SMILES Fc1ccc(C#Cc2ccc3N=C(CC(=O)Nc3c2)c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C24H13F2N3O/c25-19-8-7-17(20(26)12-19)6-4-15-5-9-21-23(11-15)29-24(30)13-22(28-21)18-3-1-2-16(10-18)14-27/h1-3,5,7-12H,13H2,(H,29,30)
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n/an/a 480n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225794
PNG
((E)-2-(4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)...)
Show SMILES OC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C26H17N3O4/c27-15-18-7-4-8-19(11-18)21-14-25(30)29-22-12-20(10-9-17-5-2-1-3-6-17)24(13-23(22)28-21)33-16-26(31)32/h1-8,11-13H,14,16H2,(H,29,30)(H,31,32)
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n/an/a 600n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225815
PNG
((E)-3-(4-oxo-7-(2-(pyridin-2-yl)ethynyl)-4,5-dihyd...)
Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccn1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H14N4O/c24-15-17-4-3-5-18(12-17)21-14-23(28)27-22-13-16(8-10-20(22)26-21)7-9-19-6-1-2-11-25-19/h1-6,8,10-13H,14H2,(H,27,28)
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n/an/a 870n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225813
PNG
((E)-4-(3-methoxyphenyl)-8-(2-phenylethynyl)-1H-ben...)
Show SMILES COc1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
Show InChI InChI=1S/C24H18N2O2/c1-28-20-9-5-8-19(15-20)22-16-24(27)26-23-14-18(12-13-21(23)25-22)11-10-17-6-3-2-4-7-17/h2-9,12-15H,16H2,1H3,(H,26,27)
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n/an/a 962n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225818
PNG
((E)-4-(3-(1-methylpiperazine-4-carbonyl)phenyl)-8-...)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
Show InChI InChI=1S/C29H26N4O2/c1-32-14-16-33(17-15-32)29(35)24-9-5-8-23(19-24)26-20-28(34)31-27-18-22(12-13-25(27)30-26)11-10-21-6-3-2-4-7-21/h2-9,12-13,18-19H,14-17,20H2,1H3,(H,31,34)
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n/an/a 1.04E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225799
PNG
((E)-8-methyl-4-(3-(trifluoromethyl)phenyl)-1H-benz...)
Show SMILES Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O/c1-10-5-6-13-15(7-10)22-16(23)9-14(21-13)11-3-2-4-12(8-11)17(18,19)20/h2-8H,9H2,1H3,(H,22,23)
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n/an/a 1.53E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225797
PNG
((E)-2-(4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)...)
Show SMILES NC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C26H18N4O3/c27-15-18-7-4-8-19(11-18)21-14-26(32)30-22-12-20(10-9-17-5-2-1-3-6-17)24(13-23(22)29-21)33-16-25(28)31/h1-8,11-13H,14,16H2,(H2,28,31)(H,30,32)
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n/an/a 2.40E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225791
PNG
((E)-4-(3-chlorophenyl)-8-methyl-1H-benzo[b][1,4]di...)
Show SMILES Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(Cl)c1
Show InChI InChI=1S/C16H13ClN2O/c1-10-5-6-13-15(7-10)19-16(20)9-14(18-13)11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,19,20)
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n/an/a 2.82E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225822
PNG
((E)-3-(7-methyl-4-oxo-4,5-dihydro-3H-benzo[b][1,4]...)
Show SMILES Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
Show InChI InChI=1S/C17H13N3O/c1-11-5-6-14-16(7-11)20-17(21)9-15(19-14)13-4-2-3-12(8-13)10-18/h2-8H,9H2,1H3,(H,20,21)
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n/an/a 2.90E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080063
PNG
(1-[(Z)-2-(2,4-Dichloro-phenyl)-2-isopropoxy-vinyl]...)
Show SMILES CC(C)O\C(=C/n1cncn1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H13Cl2N3O/c1-9(2)19-13(6-18-8-16-7-17-18)11-4-3-10(14)5-12(11)15/h3-9H,1-2H3/b13-6-
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n/an/a 6.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu2 expressed in CHO cells assessed as inibition of (1S,3R)-ACPD-stimulated GTPgammaS binding


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225792
PNG
((E)-4-(3-methoxyphenyl)-8-methyl-1H-benzo[b][1,4]d...)
Show SMILES COc1cccc(c1)C1=Nc2ccc(C)cc2NC(=O)C1
Show InChI InChI=1S/C17H16N2O2/c1-11-6-7-14-16(8-11)19-17(20)10-15(18-14)12-4-3-5-13(9-12)21-2/h3-9H,10H2,1-2H3,(H,19,20)
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n/an/a 6.58E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50225810
PNG
((E)-3-(7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-4,5-...)
Show SMILES CC(C)(O)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H17N3O2/c1-21(2,26)9-8-14-6-7-17-19(11-14)24-20(25)12-18(23-17)16-5-3-4-15(10-16)13-22/h3-7,10-11,26H,12H2,1-2H3,(H,24,25)
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n/an/a 2.60E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50078227
PNG
(1-[2-(2,6-dichloro-phenyl)-7-methyl-5H-thiazolo[3,...)
Show SMILES COc1ccc(cc1)C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O3S/c1-15-21(24(31)33-13-12-29(2)3)23(16-8-10-17(32-4)11-9-16)30-14-20(34-25(30)28-15)22-18(26)6-5-7-19(22)27/h5-11,14,23H,12-13H2,1-4H3
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PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu2 expressed in CHO cells assessed as inibition of (1S,3R)-ACPD-stimulated GTPgammaS binding


Bioorg Med Chem Lett 17: 6811-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.026
BindingDB Entry DOI: 10.7270/Q2R78DZD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%