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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 2' and Ligand = 'BDBM50332972'   
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))
BDBM50332972
PNG
(7-ethoxy-4-(3-(pyridin-4-yl)phenyl)-8-(trifluorome...)
Show SMILES CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncc1 |c:6|
Show InChI InChI=1S/C23H18F3N3O2/c1-2-31-21-12-20-19(11-17(21)23(24,25)26)29-22(30)13-18(28-20)16-5-3-4-15(10-16)14-6-8-27-9-7-14/h3-12H,2,13H2,1H3,(H,29,30)
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PC sid
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Article
PubMed
n/an/a 4n/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))
BDBM50332972
PNG
(7-ethoxy-4-(3-(pyridin-4-yl)phenyl)-8-(trifluorome...)
Show SMILES CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncc1 |c:6|
Show InChI InChI=1S/C23H18F3N3O2/c1-2-31-21-12-20-19(11-17(21)23(24,25)26)29-22(30)13-18(28-20)16-5-3-4-15(10-16)14-6-8-27-9-7-14/h3-12H,2,13H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8n/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))
BDBM50332972
PNG
(7-ethoxy-4-(3-(pyridin-4-yl)phenyl)-8-(trifluorome...)
Show SMILES CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncc1 |c:6|
Show InChI InChI=1S/C23H18F3N3O2/c1-2-31-21-12-20-19(11-17(21)23(24,25)26)29-22(30)13-18(28-20)16-5-3-4-15(10-16)14-6-8-27-9-7-14/h3-12H,2,13H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 10n/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))
BDBM50332972
PNG
(7-ethoxy-4-(3-(pyridin-4-yl)phenyl)-8-(trifluorome...)
Show SMILES CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncc1 |c:6|
Show InChI InChI=1S/C23H18F3N3O2/c1-2-31-21-12-20-19(11-17(21)23(24,25)26)29-22(30)13-18(28-20)16-5-3-4-15(10-16)14-6-8-27-9-7-14/h3-12H,2,13H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human 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