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BDBM17657 (2S)-2-aminopentanedioic acid::(S)-Glu::D-Glutamate::Glutamate::L-Glu::L-Glutamate::L-Glutamic acid::L-[14C(U)]glutamate::L-gluatmate

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

InChI Key: InChIKey=WHUUTDBJXJRKMK-VKHMYHEASA-N

Data: 91 KI  5 IC50  112 EC50

PDB links: 20 PDB IDs match this monomer. 206 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 208 hits for monomerid = 17657   
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
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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Article
PubMed
n/an/an/an/a 2.90E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2A receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2C receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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Article
PubMed
n/an/an/an/a 450n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat NR1/NR2D receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic kainate


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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KEGG
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n/an/an/an/a 7.50E+4n/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity at Glutamate receptor 6 using HEK293 cells


Bioorg Med Chem Lett 10: 1807-10 (2000)


BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/an/an/a 1.05E+3n/an/an/an/a



CNRS

Curated by ChEMBL




Bioorg Med Chem Lett 10: 129-33 (2000)


BindingDB Entry DOI: 10.7270/Q2P84CFG
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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Article
PubMed
n/an/a 5.37E+4n/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte Glutathione reductase


Bioorg Med Chem Lett 21: 5398-402 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.002
BindingDB Entry DOI: 10.7270/Q2V69KKH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/an/an/a 610n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1721-6 (1999)


BindingDB Entry DOI: 10.7270/Q2V69K37
More data for this
Ligand-Target Pair
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