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BDBM18125 (2S)-2-aminobutanedioic acid::Aspartate::CHEMBL274323::L-Aspartate::L-Aspartic acid, 2::L-[14C]aspartate

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

InChI Key: InChIKey=CKLJMWTZIZZHCS-REOHCLBHSA-N

Data: 5 KI  3 EC50

PDB links: 88 PDB IDs match 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 8 hits for monomerid = 18125   
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
Glutamate-NMDA


(RAT)
BDBM18125
PNG
((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)
Show SMILES N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM18125
PNG
((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)
Show SMILES N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
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PubMed
1.60E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM18125
PNG
((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)
Show SMILES N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM18125
PNG
((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)
Show SMILES N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
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Article
PubMed
>1.00E+4n/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)

More data for this
Ligand-Target Pair
Glycosylasparaginase (GA)


(Homo sapiens (Human))
BDBM18125
PNG
((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)
Show SMILES N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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6.00E+5 -4.57n/an/an/an/an/a5.837



University of North Carolina



Assay Description
Glycosylasparaginase activity was measured in citrate-phosphate buffer at pH 5.8 at 37 C. N-Acetyl-D-glucosamine released during the reaction was me...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM18125
PNG
((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)
Show SMILES N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
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PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu2 receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(HUMAN)
BDBM18125
PNG
((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)
Show SMILES N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
Reactome pathway
KEGG

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



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu6 receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM18125
PNG
((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)
Show SMILES N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
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Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu1-alpha receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)

More data for this
Ligand-Target Pair