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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 2' and Ligand = 'BDBM50094843'   
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))
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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3.30n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand


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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Article
PubMed
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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PubMed
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
PDB

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PubMed
n/an/an/an/a 94.7n/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
PDB

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PubMed
n/an/an/an/a 1.26n/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
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against Metabotropic glutamate receptor 2 expressed in CHO cells was evaluated in presence of 30 microM glutamic acid


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair