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BioAssay: AID 412498

Inhibition of purified human recombinant APE1 expressed in Escherichia coli M15 cells

Human apurinic/apyrimidinic endonuclease 1 (APE1) is an important enzyme in the base excision repair (BER) pathway that is essential for the repair of abasic sites in the genome. Evidence for APE1 as an attractive therapeutic target in anticancer drug development has been demonstrated by studies that link overexpression of APE1 in many cancers to resistance of tumor cells to radio- and more ..
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 Tested Compounds
 Tested Compounds
All(171)
 
 
Active(51)
 
 
Unspecified(120)
 
 
 Tested Substances
 Tested Substances
All(171)
 
 
Active(51)
 
 
Unspecified(120)
 
 
 Related BioAssays
 Related BioAssays
AID: 412498
Data Source: ChEMBL (560527)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2010-05-26
Modify Date: 2013-11-21

Data Table ( Complete ):           Active    All
Target
Sequence: RecName: Full=DNA-(apurinic or apyrimidinic site) lyase; AltName: Full=APEX nuclease; Short=APEN; AltName: Full=Apurinic-apyrimidinic endonuclease 1; Short=AP endonuclease 1; Short=APE-1; AltName: Full=REF-1; AltName: Full=Redox factor-1; Contains: RecName: Full=DNA-(apurinic or apyrimidinic site) lyase, mitochondrial
Description ..   
Protein Family: Human Ape1-like subfamily of the ExoIII family purinic/apyrimidinic (AP) endonucleases
Comment ..   

Gene:APEX1     Related Protein 3D Structures     More BioActivity Data..
BioActive Compounds: 51
Description:
Title: Pharmacophore guided discovery of small-molecule human apurinic/apyrimidinic endonuclease 1 inhibitors.

Abstract: Human apurinic/apyrimidinic endonuclease 1 (APE1) is an important enzyme in the base excision repair (BER) pathway that is essential for the repair of abasic sites in the genome. Evidence for APE1 as an attractive therapeutic target in anticancer drug development has been demonstrated by studies that link overexpression of APE1 in many cancers to resistance of tumor cells to radio- and chemotherapy. APE1 also shows a protective effect in several cancer cell models to a variety of DNA damaging agents. This study represents the first rational design of selective small-molecule APE1 inhibitors utilizing a three-dimensional interaction-based pharmacophore perception. All of our most potent molecules show inhibitory activity below 10 muM and are selective for APE1 inhibition.
(PMID: 19072053)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Categorized Comment
ChEMBL Assay Type: Binding

ChEMBL Assay Data Source: Scientific Literature

ChEMBL Target ID: 101476

ChEMBL Target Type: Target is a single protein chain

Result Definitions
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TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1IC50*IC50 PubChem standard valueFloatμM
2BEIBinding Efficiency Index(nM)Float
3SEISurface Efficiency Index(nM)Float
4LELigand EfficiencyFloat
5LLELipophilic Ligand EfficiencyFloat
6IC50 activity commentIC50 activity commentString
7IC50 standard flagIC50 standard flagInteger
8IC50 qualifierIC50 qualifierString
9IC50 published valueIC50 published valueFloatμM
10IC50 standard valueIC50 standard valueFloatnM
11IC50 binding domainsIC50 binding domainsString

* Activity Concentration.

Data Table (Concise)
Classification
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