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
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50067040   

TargetSerine/threonine-protein kinase 33(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataEC50:  710nMAssay Description:Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
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
TargetVitamin D3 receptor(Homo sapiens (Human))
Arizona State University

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataEC50:  2.00E+4nMAssay Description:Agonist activity at human VDR expressed in human HCT116 cells co-expressing VDRE assessed as XDR3 transcriptional activity after 24 hrs by luciferase...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C delta type(Homo sapiens (Human))
University Of Houston

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataEC50:  1.07E+4nMAssay Description:Binding affinity to GST-tagged PKCdelta expressed in Escherichia coli BL21(DE3) by fluorescence quenchingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C epsilon type(Homo sapiens (Human))
University Of Houston

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataEC50:  8.81E+3nMAssay Description:Binding affinity to GST-tagged PKCepsilon expressed in Escherichia coli BL21(DE3) by fluorescence quenchingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C theta type(Homo sapiens (Human))
University Of Houston

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataEC50:  1.11E+4nMAssay Description:Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenchingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed