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BioAssay: AID 547392

Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDR

Twelve new analogues of 19-nor-1alpha,25-dihydroxyvitamin D# (5-16) were prepared by convergent syntheses, employing the Wittig-Horner reaction. The necessary Grundmann type ketones (45-48), possessing fixed configurations of the hydroxyl group at C-25, were obtained by a multistep procedure from commercial vitamin D# and enantiomers of 1,3-butanediol (23 and 24). We have examined the influence more ..
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 Tested Compounds
 Tested Compounds
All(10)
 
 
Active(10)
 
 
 Tested Substances
 Tested Substances
All(14)
 
 
Active(14)
 
 
AID: 547392
Data Source: ChEMBL (695918)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2011-09-18
Modify Date: 2014-05-26

Data Table ( Complete ):           View Active Data    View All Data
Target
Sequence: RecName: Full=Vitamin D3 receptor; Short=VDR; AltName: Full=1,25-dihydroxyvitamin D3 receptor; AltName: Full=Nuclear receptor subfamily 1 group I member 1
Description ..   
Protein Family: The ligand binding domain of vitamin D receptors, a member of the nuclear receptor superfamily
Comment ..   

Gene:VDR     Related Protein 3D Structures     More BioActivity Data..
BioActive Compounds: 10
Description:
Title: Removal of the 26-methyl group from 19-nor-1alpha,25-dihydroxyvitamin D# markedly reduces in vivo calcemic activity without altering in vitro VDR binding, HL-60 cell differentiation, and transcription.

Abstract: Twelve new analogues of 19-nor-1alpha,25-dihydroxyvitamin D# (5-16) were prepared by convergent syntheses, employing the Wittig-Horner reaction. The necessary Grundmann type ketones (45-48), possessing fixed configurations of the hydroxyl group at C-25, were obtained by a multistep procedure from commercial vitamin D# and enantiomers of 1,3-butanediol (23 and 24). We have examined the influence of removal of one of the methyl groups located at C-25 on the biological in vitro and in vivo activity. The in vivo tests showed that the synthesized vitamin D compounds (5-16) exhibit reduced calcemic activity both in bone and in the intestine. However, in vitro potency of 2-methylene and 2alpha-methyl compounds (5-10, 13, and 14) remained similar or enhanced as compared to that of 1alpha,25-(OH)#D#.
(PMID: 21105677)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Categorized Comment
Assay Type: Binding

Assay Data Source: Scientific Literature

BAO: Assay Format: biochemical format

Target Type: Target is a single protein chain

Result Definitions
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TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1Ki*Ki PubChem standard valueFloatμM
3BEIBinding Efficiency Index(nM)Float
2SEISurface Efficiency Index(nM)Float
4LELigand EfficiencyFloat
5LLELipophilic Ligand EfficiencyFloat
6Ki activity commentKi activity commentString
7Ki standard flagKi standard flagInteger
8Ki qualifierKi qualifierString
9Ki published valueKi published valueFloat10'-10M
10Ki standard valueKi standard valueFloatnM
11Ki binding domainsKi binding domainsString
12Ki activity commentKi activity commentString
13Ki standard flagKi standard flagInteger
14Ki qualifierKi qualifierString
15Ki published valueKi published valueFloat10'-11M
16Ki standard valueKi standard valueFloatnM
17Ki binding domainsKi binding domainsString
18Ki activity commentKi activity commentString
19Ki standard flagKi standard flagInteger
20Ki qualifierKi qualifierString
21Ki published valueKi published valueFloat10'-9M
22Ki standard valueKi standard valueFloatnM
23Ki binding domainsKi binding domainsString

* Activity Concentration.

Data Table (Concise)
Data Table ( Complete ):     View Active Data    View All Data
Classification
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