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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 217.1
BDBM50159147

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

Found 12 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
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 assessed as [3H]Asp uptake


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT2 assessed as [3H]Asp uptake


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT3 assessed as [3H]Asp uptake


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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n/an/an/an/a 2.48E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu4 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Rattus norvegicus (Rat))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu7 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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PubMed
n/an/an/an/a 2.08E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu8 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu2 receptor by FRET based mGlu sensor assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu3 receptor by FRET based mGlu sensor assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu2 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
PDB
MMDB

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PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu5 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM50159147
PNG
(CHEMBL3786026)
Show SMILES [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1
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Article
PubMed
n/an/an/an/a 1.78E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu6 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair