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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 2' and Ligand = 'BDBM50332991'   
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))
BDBM50332991
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...)
Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)
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n/an/a 11n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR2 receptor expressed in CHO cells assessed as inhibition of GIRK current


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332991
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...)
Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)
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n/an/a 12n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332991
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...)
Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)
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n/an/a 16n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332991
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...)
Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)
PDB

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n/an/a 16n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2


Bioorg Med Chem Lett 18: 2725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.076
BindingDB Entry DOI: 10.7270/Q2S75H7D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332991
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...)
Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)
PDB

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n/an/a 22n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR2 expressed in CHO cells assessed as inhibition of glutamta-induced GIRK current


Bioorg Med Chem Lett 18: 2725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.076
BindingDB Entry DOI: 10.7270/Q2S75H7D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332991
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...)
Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)
PDB

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antibodypedia
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PC sid
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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332991
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...)
Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 37n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR2 assessed as blockade of (1S,3R)-ACPD-induced inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 18: 2725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.076
BindingDB Entry DOI: 10.7270/Q2S75H7D
More data for this
Ligand-Target Pair