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BioAssay: AID 347243

Binding affinity to human recombinant MAP3K5 expressed in Escherichia coli assessed as thermal shift by differential scanning fluorimetry

In order to extend the chemical diversity available for organic polyketide synthesis, the concept of propionate scanning was developed. We observed that naturally occurring polyketides frequently comprise not only acetate, but also some propionate as building blocks. Therefore our approach consists of a systematic replacement of some of the acetate building blocks during synthesis by propionate more ..
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 Tested Compounds
 Tested Compounds
All(7)
 
 
Unspecified(7)
 
 
 Tested Substances
 Tested Substances
All(7)
 
 
Unspecified(7)
 
 
 Related BioAssays
 Related BioAssays
AID: 347243
Data Source: ChEMBL (495272)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2010-05-26
Modify Date: 2014-08-25

Data Table ( Complete ):           View All Data
Target
Sequence: RecName: Full=Mitogen-activated protein kinase kinase kinase 5; AltName: Full=Apoptosis signal-regulating kinase 1; Short=ASK-1; AltName: Full=MAPK/ERK kinase kinase 5; Short=MEK kinase 5; Short=MEKK 5
Description ..   
Protein Family: Catalytic domain of the Serine/Threonine Kinase, Apoptosis signal-regulating kinase
Comment ..   

Gene:MAP3K5     Related Protein 3D Structures     More BioActivity Data..
Tested Compounds:
Description:
Title: Discovery of a potent and selective inhibitor for human carbonyl reductase 1 from propionate scanning applied to the macrolide zearalenone.

Abstract: In order to extend the chemical diversity available for organic polyketide synthesis, the concept of propionate scanning was developed. We observed that naturally occurring polyketides frequently comprise not only acetate, but also some propionate as building blocks. Therefore our approach consists of a systematic replacement of some of the acetate building blocks during synthesis by propionate moieties, resulting in additional methyl groups that may give rise to different properties of the polyketides. Here we present the results of a first 'proof of concept' study where a novel zearalenone analogue 5 was prepared that comprises an additional methyl group at C5'. Key steps in the synthesis of 5 include a Marshall-Tamaru reaction, a Suzuki cross-coupling reaction, and a Mitsunobu lactonization. Compared to the parent zearalenone (1), analogue 5 showed reduced binding to a panel of human protein kinases and no binding to human Hsp90. On the other hand, however, 5 turned out to be a potent (IC(50)=210 nM) inhibitor of human carbonyl reductase 1 (CBR1).
(PMID: 19097799)
Categorized Comment - additional comments and annotations
From BioAssay Depositor:
Assay Type: Binding
Target Type: Target is a single protein chain
Assay Data Source: Scientific Literature
Result Definitions
TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1Tm activity commentTm activity commentString
2Tm standard flagTm standard flagInteger
3Tm qualifierTm qualifierString
4Tm published valueTm published valueFloatdegrees C
5Tm standard valueTm standard valueFloatdegrees C

Data Table (Concise)
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