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BDBM50427207 CROTONIC ACID::Crotonate

SMILES: C\C=C\C(O)=O

InChI Key: InChIKey=LDHQCZJRKDOVOX-NSCUHMNNSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches 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 4 hits for monomerid = 50427207   
Target
(Institution)
LigandTarget
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-Amino Acid Oxidase (DAAO)


(Homo sapiens (human))
BDBM50427207
PNG
(CROTONIC ACID | Crotonate)
Show SMILES C\C=C\C(O)=O
Show InChI InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
PDB
MMDB

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KEGG

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KEGG
PC cid
PC sid
PDB
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Article
PubMed
n/an/a 5.98E+5n/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-alanine as substrate by colorimetric assay


J Med Chem 56: 1894-907 (2013)

More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM50427207
PNG
(CROTONIC ACID | Crotonate)
Show SMILES C\C=C\C(O)=O
Show InChI InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DDO expressed in Escherichia coli BL21(DE3) using D-aspartate as substrate by colorimetric assa...


J Med Chem 56: 1894-907 (2013)

More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50427207
PNG
(CROTONIC ACID | Crotonate)
Show SMILES C\C=C\C(O)=O
Show InChI InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


J Med Chem 56: 1894-907 (2013)

More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Homo sapiens (human))
BDBM50427207
PNG
(CROTONIC ACID | Crotonate)
Show SMILES C\C=C\C(O)=O
Show InChI InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Similars

AffyNet 
Article
PubMed
n/an/a 3.57E+5n/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)

More data for this
Ligand-Target Pair