BDBM50242349 (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic acid::(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid::(all-Z)-5,8,11,14,17-eicosapentaenoic acid::5,8,11,14,17-EICOSAPENTAENOIC ACID::5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid::CHEMBL460026::EPA::ICOSAPENT ETHYL::Icosapent::Timnodonic acid::all-cis-icosa-5,8,11,14,17-pentaenoic acid::cis-5,8,11,14,17-eicosapentaenoic acid::cis-Delta(5,8,11,14,17)-eicosapentaenoic acid::omega-3-Eicosapentaenoic Acid::vascepa

SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O

InChI Key InChIKey=JAZBEHYOTPTENJ-JLNKQSITSA-N

Data  3 KI  10 IC50  1 Kd

PDB links: 8 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50242349   

TargetOxoeicosanoid receptor 1(Human)
Tanabe Seiyaku

Curated by PDSP Ki Database
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataKi:  6.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetRetinoic acid receptor RXR-alpha(Human)
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataKi:  7.63E+3nMAssay Description:Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetRetinoic acid receptor RXR-alpha(Human)
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataKi:  7.63E+3nMAssay Description:Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin G/H synthase 1(Bovine)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acidMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAromatase(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataIC50:  5.32E+4nMAssay Description:Inhibition of aromatase in human placental microsomes by radiometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPeroxisome proliferator-activated receptor gamma(Human)
University of Lille Nord de France

Curated by ChEMBL
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to PPARgammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataIC50:  1.10E+3nMAssay Description:Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePDB3D3D Structure (crystal)

LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataIC50:  4.00E+3nMAssay Description:Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
University of Lille Nord de France

Curated by ChEMBL
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataIC50:  1.60E+3nMAssay Description:Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticleDrugBank


LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of PPAR-alpha (unknown origin) by SPA assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePDB3D3D Structure (crystal)

TargetProstaglandin G/H synthase 2(Sheep)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataIC50:  7.10E+3nMAssay Description:Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acidMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTissue factor(Human)
Searle Discovery Research

Curated by ChEMBL
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataIC50:  7.80E+4nMAssay Description:Inhibition of amidolytic activity of human tissue factor/human factor 7aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTrypsin(Pig)
Searle Discovery Research

Curated by ChEMBL
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of pig pancreatic trypsin after 15 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetOxoeicosanoid receptor 1(Human)
Tanabe Seiyaku

Curated by PDSP Ki Database
LigandPNGBDBM50242349((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Affinity DataIC50:  2.00E+3nMAssay Description:Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed