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BioAssay: AID 640212

Displacement of [3H]-estradiol from human ERRalpha LBD expressed in Escherichia coli at 1 uM to 1 pM relative to estradiol

A series of 17alpha-(heteroaryl)vinyl estradiols was prepared to evaluate the influence of heteroatom on the affinity and efficacy of estrogenic ligands for the estrogen receptor-alpha ligand binding domain (ERalpha-LBD). The products demonstrated reduced binding affinity compared to the parent 17alpha-E-phenyl vinyl estradiol, but the binding was relatively independent of the heteroatom. The 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: 640212
Data Source: ChEMBL (797660)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2012-09-09
Modify Date: 2013-11-17

Data Table ( Complete ):           All
Target
Sequence: RecName: Full=Estrogen receptor; Short=ER; AltName: Full=ER-alpha; AltName: Full=Estradiol receptor; AltName: Full=Nuclear receptor subfamily 3 group A member 1
Description ..   
Protein Family: Ligand binding domain of Estrogen receptor, which are activated by the hormone 17beta-estradiol (estrogen)
Comment ..   

Gene:ESR1     Related Protein 3D Structures     More BioActivity Data..
Tested Compounds:
Description:
Title: Synthesis and evaluation of 17alpha-E-20-(heteroaryl)norpregn-1,3,5(10),20 tetraene-3,17beta-diols [17alpha-(heteroaryl)vinyl estradiols] as ligands for the estrogen receptor-alpha ligand binding domain (ERalpha-LBD).

Abstract: A series of 17alpha-(heteroaryl)vinyl estradiols was prepared to evaluate the influence of heteroatom on the affinity and efficacy of estrogenic ligands for the estrogen receptor-alpha ligand binding domain (ERalpha-LBD). The products demonstrated reduced binding affinity compared to the parent 17alpha-E-phenyl vinyl estradiol, but the binding was relatively independent of the heteroatom. The greatest influence of the heteroatom was evident in the efficacy of the compounds as the thienyl derivatives 2f,g were more potent than either the pyridyl 2b-d or pyrimidinyl 2e analogs. The results suggest that a subtle interplay of interactions between the ligands and the receptor influences the biological response.
(PMID: 22178552)
Categorized Comment
ChEMBL Assay Type: Binding

ChEMBL Assay Data Source: Scientific Literature

ChEMBL Target ID: 19

ChEMBL Target Type: Target is a single protein chain

Result Definitions
TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1RBA activity commentRBA activity commentString
2RBA standard flagRBA standard flagInteger
3RBA qualifierRBA qualifierString
4RBA published valueRBA published valueFloat
5RBA standard valueRBA standard valueFloat

Data Table (Concise)
Classification
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