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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 185.1
BDBM50064245
Wt: 185.1
BDBM50064248
Wt: 185.1
BDBM50089906

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

Found 16 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 2


(Homo sapiens (Human))
BDBM50089906
PNG
(2-Amino-bicyclo[2.1.1]hexane-2,5-dicarboxylic acid...)
Show SMILES N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3?,4?,5-,8-/m0/s1
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330n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2).


J Med Chem 43: 2609-45 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50089906
PNG
(2-Amino-bicyclo[2.1.1]hexane-2,5-dicarboxylic acid...)
Show SMILES N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3?,4?,5-,8-/m0/s1
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720n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50089906
PNG
(2-Amino-bicyclo[2.1.1]hexane-2,5-dicarboxylic acid...)
Show SMILES N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3?,4?,5-,8-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned human metabotropic glutamate receptor 1


J Med Chem 43: 2609-45 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50089906
PNG
(2-Amino-bicyclo[2.1.1]hexane-2,5-dicarboxylic acid...)
Show SMILES N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3?,4?,5-,8-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).


J Med Chem 43: 2609-45 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50089906
PNG
(2-Amino-bicyclo[2.1.1]hexane-2,5-dicarboxylic acid...)
Show SMILES N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3?,4?,5-,8-/m0/s1
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5.30E+3n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 6 (mGluR-6).


J Med Chem 43: 2609-45 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50089906
PNG
(2-Amino-bicyclo[2.1.1]hexane-2,5-dicarboxylic acid...)
Show SMILES N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3?,4?,5-,8-/m0/s1
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2.30E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned human Metabotropic glutamate receptor 4 (mGluR-4)


J Med Chem 43: 2609-45 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50064248
PNG
((1S,2S,4S,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 2.30E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 4


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50064245
PNG
((1R,2S,4R,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 6


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50064245
PNG
((1R,2S,4R,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8+/m1/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2).


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50064248
PNG
((1S,2S,4S,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 720n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 5


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50064245
PNG
((1R,2S,4R,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 4


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50064248
PNG
((1S,2S,4S,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 5.30E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 6


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50064245
PNG
((1R,2S,4R,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 5


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50064248
PNG
((1S,2S,4S,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 1


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50064245
PNG
((1R,2S,4R,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 1


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50064248
PNG
((1S,2S,4S,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2).


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair