BDBM50240347 (9,12,15)-linolenic acid::(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid::(Z,Z,Z)-9,12,15-octadecatrienoic acid::9-cis,12-cis,15-cis-octadecatrienoic acid::ALA::CHEMBL8739::all-cis-9,12,15-octadecatrienoic acid::alpha-linolenic acid::cid_5280934::cis,cis,cis-9,12,15-octadecatrienoic acid::cis-Delta(9,12,15)-octadecatrienoic acid::linolenic acid

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

InChI Key InChIKey=DTOSIQBPPRVQHS-PDBXOOCHSA-N

Data  1 KI  11 IC50  2 Kd  9 EC50

PDB links: 5 PDB IDs match this monomer.

  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 23 hits for monomerid = 50240347   

TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
E£tv£s Lor£nd University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataKd:  7.90nMAssay Description:Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
TargetTrypsin(Sus scrofa)
Searle Discovery Research

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of pig pancreatic trypsin after 15 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue factor(Homo sapiens (Human))
Searle Discovery Research

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of amidolytic activity of human tissue factor/human factor 7aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acidMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Bos taurus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50:  9.30E+4nMAssay Description:Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acidMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50:  4.42E+4nMAssay Description:Inhibition of aromatase in human placental microsomes by radiometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataEC50:  2nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataEC50:  2.50E+3nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 4(Homo sapiens (Human))
Nagoya City University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataEC50:  2.60E+3nMAssay Description:Agonist activity at human GPR120-Galpha16 fusion protein expressed in Flp-in HEK293 cells assessed as effect on intracellular calcium concentration b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Nagoya City University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataEC50:  5.20E+3nMAssay Description:Agonist activity at human GPR40 expressed in T-REx HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Nagoya City University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataEC50:  3.16E+3nMAssay Description:Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Nagoya City University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataEC50:  3.00E+3nMAssay Description:Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Nagoya City University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataEC50:  2.88E+3nMAssay Description:Agonist activity at FFAR1 expressed in HEK 293 cells assessed as beta-arrestin recruitment after 30 mins by BRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 4(Homo sapiens (Human))
Nagoya City University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataEC50:  3.24E+3nMAssay Description:Agonist activity at GPR120 expressed in HEK 293 cells assessed as beta-arrestin recruitment after 5 mins by BRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Universit£ Lille Nord de France

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to PPARgammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Nagoya City University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataEC50:  1.11E+4nMAssay Description:Agonist activity at recombinant human GPR40 expressed in HEK293 cells assessed as increase in intracellular calcium flux measured for 120 secs by cal...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Universit£ Lille Nord de France

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50:  6.00E+3nMAssay Description:Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50:  1.20E+3nMAssay Description:Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50:  1.60E+4nMAssay Description:Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of PPAR-alpha (unknown origin) by SPA assayMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCysteine protease ATG4B(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50:  1.53E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPhospholipase A2(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataIC50:  2.23E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay