BDBM50067040 ((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione)::(1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one::(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one::(1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione::(1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione::1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one::5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one::CHEMBL116438::cid_5281767::curcumin I::curcumine::curcurmin::diferuloylmethane

SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O

InChI Key InChIKey=VFLDPWHFBUODDF-UHFFFAOYSA-N

Data  18 KI  91 IC50  6 EC50

PDB links: 1 PDB ID matches 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 11 hits for monomerid = 50067040   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of 5-LO in human neutrophils using arachidonic acid as substrate preincubated for 15 mins measured after 10 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  8.10E+3nMAssay Description:Inhibition of COX1-mediated PGE2 production in human platelets assessed as formation of 12-HHT using arachidonic acid as substrate preincubated for 5...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  3.39E+4nMAssay Description:Inhibition of STAT3 transcriptional activity in human HaCaT cells after 6 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataEC50:  9.90E+3nMAssay Description:Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinoneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  500nMAssay Description:Inhibition of human recombinant 5-LO expressed in Escherichia coli Bl21 (DE3) using arachidonic acid as substrate preincubated for 10 mins measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  600nMAssay Description:Inhibition of mPGES1-mediated PGE2 production in microsomes of IL-1beta stimulated human A549 cells preincubated for 15 mins by RP-HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of mPGES1-mediated PGE2 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  600nMAssay Description:Inhibition of 5-LO-mediated 5-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  600nMAssay Description:Inhibition of 5-LO-mediated 5,12-DiHETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate additi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  600nMAssay Description:Inhibition of 5-LO-mediated LTB4 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition meas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
University Jena

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of 15-LO-mediated 15-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed