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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50067040   

TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Homo sapiens (Human))
Rajiv Gandhi Centre For Biotechnology

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 minMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Homo sapiens (Human))
Rajiv Gandhi Centre For Biotechnology

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  4.50E+4nMAssay Description:Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 minMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Homo sapiens (Human))
Rajiv Gandhi Centre For Biotechnology

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  3.40E+4nMAssay Description:Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Homo sapiens (Human))
Rajiv Gandhi Centre For Biotechnology

Curated by ChEMBL
LigandPNGBDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Affinity DataIC50:  3.30E+4nMAssay Description:Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed