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BDBM50013876 CHEMBL291278::Methyl aspartic acid::N-Methyl aspartic acid::N-Methyl-D-aspartate::N-Methyl-D-aspartic acid::N-Methylaspartate::NMDA::US9182402, 16

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

InChI Key: InChIKey=HOKKHZGPKSLGJE-GSVOUGTGSA-N

Data: 3 IC50  4 EC50

PDB links: 2 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 7 hits for monomerid = 50013876   
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
Hepsin


(Homo sapiens (Human))
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
PDB
MMDB

KEGG

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KEGG
MMDB
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UniChem

Patents

US Patent
n/an/a 750n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)

More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
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KEGG
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US Patent
n/an/a 2.42E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
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US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
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KEGG
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Article
PubMed
n/an/an/an/a 8.30E+3n/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
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
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Article
PubMed
n/an/an/an/a 2.20E+4n/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
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
PDB

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CHEMBL
KEGG
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PC sid
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Article
PubMed
n/an/an/an/a 2.30E+4n/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
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
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Article
PubMed
n/an/an/an/a 7.50E+4n/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
More data for this
Ligand-Target Pair