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BDBM50427221 5-Aminonicotinic Acid::CHEMBL1491941

SMILES: Nc1cncc(c1)C(O)=O

InChI Key: InChIKey=BYIORJAACCWFPU-UHFFFAOYSA-N

Data: 3 KI  3 IC50

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 6 hits for monomerid = 50427221   
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
D-Aspartate Oxidase (DDO)


(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

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CHEMBL
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q2WM1G6R
More data for this
Ligand-Target Pair
D-aspartate oxidase


(Rattus norvegicus)
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)
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CHEMBL
PC cid
PC sid
UniChem
PubMed
5.89E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DDO using D-Asp


J Med Chem 58: 7328-40 (2015)


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
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q2WM1G6R
More data for this
Ligand-Target Pair
D-amino-acid 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
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by colorimetric assay


J Med Chem 56: 1894-907 (2013)


Article DOI: 10.1021/jm3017865
BindingDB Entry DOI: 10.7270/Q2H70H4P
More data for this
Ligand-Target Pair
D-amino-acid 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
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.50E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAO 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)


BindingDB Entry DOI: 10.7270/Q2WM1G6R
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(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

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CHEMBL
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q2WM1G6R
More data for this
Ligand-Target Pair