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BDBM50303958 (E)-3-(5,6-Dimethoxy-3-methyl-1,4-dioxocyclohexa-2,5-dienyl)-2-butylpropenoic Acid::CHEMBL571827

SMILES: CCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O

InChI Key: InChIKey=GBNXKHQESXVNDQ-CSKARUKUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50303958   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303958
PNG
((E)-3-(5,6-Dimethoxy-3-methyl-1,4-dioxocyclohexa-2...)
Show SMILES CCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O
Show InChI InChI=1S/C16H20O6/c1-5-6-7-10(16(19)20)8-11-9(2)12(17)14(21-3)15(22-4)13(11)18/h8H,5-7H2,1-4H3,(H,19,20)/b10-8+
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Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
More data for this
Ligand-Target Pair