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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D-aspartate oxidase' and Ligand = 'BDBM50427221'   
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
D-aspartate oxidase


(Homo sapiens (Human))
BDBM50427221
PNG
(5-Aminonicotinic Acid | CHEMBL1491941)
Show SMILES Nc1cncc(c1)C(O)=O
Show InChI InChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DDO


J Med Chem 58: 7328-40 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00871
BindingDB Entry DOI: 10.7270/Q2WM1G6R
More data for this
Ligand-Target Pair
D-aspartate oxidase


(Mus musculus)
BDBM50427221
PNG
(5-Aminonicotinic Acid | CHEMBL1491941)
Show SMILES Nc1cncc(c1)C(O)=O
Show InChI InChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)
UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
8.69E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant DDO using D-Asp


J Med Chem 58: 7328-40 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00871
BindingDB Entry DOI: 10.7270/Q2WM1G6R
More data for this
Ligand-Target Pair
D-aspartate oxidase


(Homo sapiens (Human))
BDBM50427221
PNG
(5-Aminonicotinic Acid | CHEMBL1491941)
Show SMILES Nc1cncc(c1)C(O)=O
Show InChI InChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.19E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ...


J Med Chem 58: 7328-40 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00871
BindingDB Entry DOI: 10.7270/Q2WM1G6R
More data for this
Ligand-Target Pair