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BDBM50252049 (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid::(2S,4R)-4-(3-Hydroxy-3-oxopropyl)glutamic Acid::CHEMBL482081

SMILES: N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O

InChI Key: InChIKey=YSWVADAJIFHTLV-UHNVWZDZSA-N

Data: 3 KI  6 IC50  15 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50252049   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of [3H]D-Asp uptake at human EAAT3 in HEK293 cells


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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>3.00E+6n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of [3H]D-Asp uptake at EAAT1 in HEK293 cells


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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>3.00E+6n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of [3H]D-Asp uptake at human EAAT2 in HEK293 cells


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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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 by intracellular Ca2+ mobilization assay


J Med Chem 59: 914-24 (2016)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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n/an/an/an/a 3.48E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu3 receptor expressed in HEK293 cells by [35S]GTP-gamma binding assay


J Med Chem 59: 914-24 (2016)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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n/an/an/an/a 1.66E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu2 receptor expressed in HEK293 cells by [35S]GTP-gamma binding assay


J Med Chem 59: 914-24 (2016)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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n/an/an/an/a 1.63E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu2 receptor expressed in HEK293 cells by [35S]GTP-gamma binding assay


J Med Chem 59: 914-24 (2016)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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n/an/an/an/a 3.42E+4n/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)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6 (mGlu6)


(Rattus norvegicus (Rat))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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n/an/an/an/a>1.00E+6n/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)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8 (mGlu8)


(Rattus norvegicus (Rat))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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n/an/an/an/a>1.00E+6n/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)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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n/an/an/an/a 1.20E+5n/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)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/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 EAAT1 assessed as [3H]Asp uptake


J Med Chem 59: 914-24 (2016)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/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)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/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 EAAT3 assessed as [3H]Asp uptake


J Med Chem 59: 914-24 (2016)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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n/an/a 3.00E+6n/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced depolarization in human human EAAT3 expressed in HEK293 cells by FMP assay


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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n/an/a 3.00E+6n/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced depolarization in human EAAT1 expressed in HEK293 cells by FMP assay


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
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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 by intracellular Ca2+ mobilization assay


J Med Chem 59: 914-24 (2016)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 3.00E+6n/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced depolarization in human human EAAT2 expressed in HEK293 cells by FMP assay


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
PDB

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



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu4 receptor expressed in HEK293 cells assessed as inhibition of forskolin stimulated cAMP production


J Med Chem 59: 914-24 (2016)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
GRM7


(Homo sapiens (Human))
BDBM50252049
PNG
((1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid | ...)
Show SMILES N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
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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 human mGlu7 receptor expressed in HEK293 assessed as inhibition of forskolin stimulated cAMP production


J Med Chem 59: 914-24 (2016)


BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair