BDBM50303955 (E)-3-(5,6-Dimethoxy-3-methyl-14-dioxocyclohexa-25-dienyl)-2-nonylpropenoic Acid::CHEMBL578390::E3330::US9624235, Compound E3330

SMILES CCCCCCCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O

InChI Key InChIKey=AALSSIXXBDPENJ-UHFFFAOYSA-N

Data  4 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50303955   

TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Indiana University School of Medicine

LigandPNGBDBM50303955((E)-3-(5,6-Dimethoxy-3-methyl-14-dioxocyclohexa-25...)
Affinity DataIC50:  2.00E+4nMpH: 7.5Assay Description:E3330 or E3330-amide was preincubated with 2 μL of APE1 (reduced with 1.0 mM DTT for 10 min and then diluted to a concentration of 0.06 mM with ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Indiana University School of Medicine

LigandPNGBDBM50303955((E)-3-(5,6-Dimethoxy-3-methyl-14-dioxocyclohexa-25...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Indiana University School of Medicine

LigandPNGBDBM50303955((E)-3-(5,6-Dimethoxy-3-methyl-14-dioxocyclohexa-25...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of redox activity of full length N-terminal hexa-His SUMO-fused human APE1 using HEX-labeled THF oligonucleotide as substrate preincubated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Indiana University School of Medicine

LigandPNGBDBM50303955((E)-3-(5,6-Dimethoxy-3-methyl-14-dioxocyclohexa-25...)
Affinity DataKd:  1.60nMAssay Description:Binding affinity to APE1 (unknown origin) by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Indiana University School of Medicine

LigandPNGBDBM50303955((E)-3-(5,6-Dimethoxy-3-methyl-14-dioxocyclohexa-25...)
Affinity DataIC50:  1.47E+4nMAssay Description:The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...More data for this Ligand-Target Pair
In DepthDetails US Patent