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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 187.1
BDBM50074749
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 20 hits in this display   
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 3


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-LY-341,495 from recombinant human Metabotropic glutamate receptor 3 expressed in RGT cells.


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from human recombinant mGluR3 in RGT cells


J Med Chem 50: 233-40 (2007)


Article DOI: 10.1021/jm060917u
BindingDB Entry DOI: 10.7270/Q21Z442N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-LY-341,495 from recombinant human Metabotropic glutamate receptor 3 expressed in RGT cells.


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Glutamate receptor 3


(RAT)
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 453-60 (2001)


BindingDB Entry DOI: 10.7270/Q2V986M2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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14.1n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human Metabotropic glutamate receptor 2


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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14.1n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]LY-341,495 from recombinant human Metabotropic glutamate receptor 2 subtypes expressed in RGT cells.


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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14.1n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from human recombinant mGluR2 in RGT cells


J Med Chem 50: 233-40 (2007)


Article DOI: 10.1021/jm060917u
BindingDB Entry DOI: 10.7270/Q21Z442N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 1.69E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR8


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 1.69E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGluR8 assessed as effect on cAMP production in RGT cells


J Med Chem 50: 233-40 (2007)


Article DOI: 10.1021/jm060917u
BindingDB Entry DOI: 10.7270/Q21Z442N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGluR2 assessed as effect on cAMP production in RGT cells


J Med Chem 50: 233-40 (2007)


Article DOI: 10.1021/jm060917u
BindingDB Entry DOI: 10.7270/Q21Z442N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 4.60n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGluR3 assessed as effect on cAMP production in RGT cells


J Med Chem 50: 233-40 (2007)


Article DOI: 10.1021/jm060917u
BindingDB Entry DOI: 10.7270/Q21Z442N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 4.58n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human mGLUR3 assessed as inhibition of forskolin-stimulated cAMP production by cell-based assay


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 6


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 401n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP production in RGT cells expressingrecombinant human mGluR6


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 2.11E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR4a


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR7


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 4.60n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human Metabotropic glutamate receptor 3


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP production in RGT cells expressingrecombinant human Metabotropic glutamate receptor 2


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR1a


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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n/an/an/an/a 2.69n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human mGLUR2 assessed as inhibition of forskolin-stimulated cAMP production by cell-based assay


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 6


(Homo sapiens (Human))
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR5a


J Med Chem 42: 1027-40 (1999)


Article DOI: 10.1021/jm980616n
BindingDB Entry DOI: 10.7270/Q2WM1CKF
More data for this
Ligand-Target Pair