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BioAssay: AID 141546

Compound was tested in vitro for its binding affinity to muscarinic acetylcholine receptor from rat cortical homogenates using [3H]QNB as radioligand

The synthesis of 15 methyl or unsubstituted 1,2,3-triazoles, 1,2,4-triazoles, and tetrazoles additionally substituted with a 1-azabicyclo[2.2.2]octan-3-yl group is described. The potency and efficacy of these compounds as muscarinic ligands were determined in radioligand binding assays using [3H]oxotremorine and [3H]quinuclidinyl benzilate. Potency and efficacy were found in compounds in which more ..
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 Tested Compounds
 Tested Compounds
All(6)
 
 
Active(5)
 
 
Unspecified(1)
 
 
 Tested Substances
 Tested Substances
All(6)
 
 
Active(5)
 
 
Unspecified(1)
 
 
 Related BioAssays
 Related BioAssays
AID: 141546
Data Source: ChEMBL (138783)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2010-05-21
Modify Date: 2014-05-18

Data Table ( Complete ):           Active    All
BioActive Compounds: 5
Description:
Title: Synthesis and muscarinic activities of quinuclidin-3-yltriazole and -tetrazole derivatives.

Abstract: The synthesis of 15 methyl or unsubstituted 1,2,3-triazoles, 1,2,4-triazoles, and tetrazoles additionally substituted with a 1-azabicyclo[2.2.2]octan-3-yl group is described. The potency and efficacy of these compounds as muscarinic ligands were determined in radioligand binding assays using [3H]oxotremorine and [3H]quinuclidinyl benzilate. Potency and efficacy were found in compounds in which the azole moiety was attached to the azabicyclic ring either through a carbon atom or a nitrogen atom. Electrostatic potential maps of both the C-linked and the novel N-linked series of compounds were calculated. A relationship between position and depth of the electrostatic minima relative to the azabicyclic ring and the potency and efficacy of the compounds was determined.
(PMID: 1560440)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Putative Target:

ChEMBL Target ID: 104303
Target Type: PROTEIN FAMILY
Pref Name: Muscarinic acetylcholine receptor
Synonyms: Muscarinic acetylcholine receptor M1;Muscarinic acetylcholine receptor M2;Muscarinic acetylcholine receptor M3;Muscarinic acetylcholine receptor M4;Muscarinic acetylcholine receptor M5;
Gene Name: Chrm-1;Chrm1;Chrm-2;Chrm2;Chrm-3;Chrm3;Chrm-4;Chrm4;Chrm-5;Chrm5;
Protein Accession: P08482;P10980;P08483;P08485;P08911;
Protein GI: 113121;12643977;113127;113130;113132;
Organism: Rattus norvegicus
Tax ID: 10116
Target Classification: membrane receptor 7tm1 smallmol monoamine receptor acetylcholine receptor
Confidence: Multiple homologous protein targets may be assigned
Relationship Type: Homologous protein target assigned
Categorized Comment
Assay Type: Binding

Assay Data Source: Scientific Literature

Result Definitions
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TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1IC50*IC50 PubChem standard valueFloatμM
3BEIBinding Efficiency Index(nM)Float
2SEISurface 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 valueFloatnM
10IC50 standard valueIC50 standard valueFloatnM
11IC50 data validityIC50 data validityString

* Activity Concentration.

Data Table (Concise)
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