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BioAssay: AID 141534

In vitro displacement of [3H]quinuclidinyl benzilate (QNB) from rat cerebral cortex muscarinic receptor.

The effect of variation of the 1-azabicyclic substituent on the novel 1,2,3-triazol-4-yl-, 1,2,4-triazol-1-yl, tetrazol-5-yl-, and tetrazol-2-yl-based muscarinic receptor ligands has been studied, and the exo-azabicyclic[2.2.1]hept-3-yl substituent was found to give the most potent and efficacious compounds. In addition, variation of the second substituent on 1,2,4-triazol-1-yl- and more ..
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 Tested Compounds
 Tested Compounds
All(34)
 
 
Active(34)
 
 
 Tested Substances
 Tested Substances
All(34)
 
 
Active(34)
 
 
 Related BioAssays
 Related BioAssays
AID: 141534
Data Source: ChEMBL (138771)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2010-05-21
Modify Date: 2014-05-19

Data Table ( Complete ):           Active    All
BioActive Compounds: 34
Description:
Title: Substituent variation in azabicyclic triazole- and tetrazole-based muscarinic receptor ligands.

Abstract: The effect of variation of the 1-azabicyclic substituent on the novel 1,2,3-triazol-4-yl-, 1,2,4-triazol-1-yl, tetrazol-5-yl-, and tetrazol-2-yl-based muscarinic receptor ligands has been studied, and the exo-azabicyclic[2.2.1]hept-3-yl substituent was found to give the most potent and efficacious compounds. In addition, variation of the second substituent on 1,2,4-triazol-1-yl- and tetrazol-2-yl-based muscarinic receptor ligands has yielded a series of novel compounds with high potencies and efficacies, ranging from full agonists to antagonists. Small lipophilic electron withdrawing substituents give potent but low efficacy compounds, while small polar electron donating substituents give potent and efficacious compounds. The activity of these compounds is described in terms of a model of the receptor involving lipophilic and hydrogen bonding interactions. These compounds provide muscarinic ligands with high potency and a range of efficacies suitable for testing as candidate drugs in the treatment of Alzheimer's disease.
(PMID: 1619616)
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

* Activity Concentration.

Data Table (Concise)
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