BDBM50006811 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone::2-(12-hydroxydodeca-5,10-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione::2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-1,4-benzoquinone::AA861::CHEMBL304818::cid_1967::docebenone

SMILES Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O

InChI Key InChIKey=YJJCOKZDOWPHHH-UHFFFAOYSA-N

Data  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50006811   

TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM50006811(docebenone | 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM50006811(docebenone | 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM50006811(docebenone | 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50006811(docebenone | 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,...)
Affinity DataIC50: 5.35E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rat)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50006811(docebenone | 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,...)
Affinity DataIC50: 90nMAssay Description:The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
University of Hyderabad

Curated by ChEMBL
LigandPNGBDBM50006811(docebenone | 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rat)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50006811(docebenone | 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,...)
Affinity DataIC50: 2.00E+3nMAssay Description:In vitro inhibition of RBL-1 5-lipoxygenaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2012
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Mouse)
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM50006811(docebenone | 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,...)
Affinity DataIC50: 32nMAssay Description:Inhibitory activity against murine lipoxygenase-2.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2012
Entry Details Article
PubMed