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BioAssay: AID 410748

Agonist activity at alpha3beta4 nAChR expressed in HEK293 cells by FLIPR membrane potential assay

Compounds based on the 3-(dimethylamino)butyl dimethylcarbamate (DMABC) scaffold were synthesized and pharmacologically characterized at the alpha(4)beta(2), alpha(3)beta(4,) alpha(4)beta(4) and alpha(7) neuronal nicotinic acetylcholine receptors (nAChRs). The carbamate functionality and a small hydrophobic substituent in the C-3 position were found to be vital for the binding affinity to the nAChRs, whereas the carbamate nitrogen substituents were important for nAChR subtype selectivity. Finally, the compounds were found to be agonists at the alpha(3)beta(4) nAChR. ..more
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 Tested Compounds
 Tested Compounds
All(23)
 
 
Active(3)
 
 
Unspecified(20)
 
 
 Tested Substances
 Tested Substances
All(23)
 
 
Active(3)
 
 
Unspecified(20)
 
 
 Related BioAssays
 Related BioAssays
AID: 410748
Data Source: ChEMBL (558777)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2010-05-26
Modify Date: 2013-11-21

Data Table ( Complete ):           Active    All
BioActive Compounds: 3
Description:
Title: Carbamoylcholine analogs as nicotinic acetylcholine receptor agonists--structural modifications of 3-(dimethylamino)butyl dimethylcarbamate (DMABC).

Abstract: Compounds based on the 3-(dimethylamino)butyl dimethylcarbamate (DMABC) scaffold were synthesized and pharmacologically characterized at the alpha(4)beta(2), alpha(3)beta(4,) alpha(4)beta(4) and alpha(7) neuronal nicotinic acetylcholine receptors (nAChRs). The carbamate functionality and a small hydrophobic substituent in the C-3 position were found to be vital for the binding affinity to the nAChRs, whereas the carbamate nitrogen substituents were important for nAChR subtype selectivity. Finally, the compounds were found to be agonists at the alpha(3)beta(4) nAChR.
(PMID: 19027295)
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: 11184
Target Type: SINGLE PROTEIN
Pref Name: Neuronal acetylcholine receptor subunit alpha-3
Synonyms: Neuronal acetylcholine receptor subunit alpha-3;
Gene Name: CHRNA3;NACHRA3;
Protein Accession: P32297;
Protein GI: 254763435;
Organism: Homo sapiens
Tax ID: 9606
Target Classification: ion channel lgic cys_loop ach cationic ns chrn alpha
Confidence: Multiple homologous protein targets may be assigned
Relationship Type: Homologous protein target assigned
Categorized Comment
ChEMBL Assay Type: Functional

ChEMBL Assay Data Source: Scientific Literature

ChEMBL Assay Cell Type: HEK293

Result Definitions
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TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1EC50*EC50 PubChem standard valueFloatμM
2-Log EC50 activity comment-Log EC50 activity commentString
3-Log EC50 standard flag-Log EC50 standard flagInteger
4-Log EC50 qualifier-Log EC50 qualifierString
5-Log EC50 published value-Log EC50 published valueFloat
6-Log EC50 standard value-Log EC50 standard valueFloat
7-Log EC50 data validity-Log EC50 data validityString
8EC50 activity commentEC50 activity commentString
9EC50 standard flagEC50 standard flagInteger
10EC50 qualifierEC50 qualifierString
11EC50 published valueEC50 published valueFloat
12EC50 standard valueEC50 standard valueFloatnM
13EC50 data validityEC50 data validityString
14EC50 activity commentEC50 activity commentString
15EC50 standard flagEC50 standard flagInteger
16EC50 qualifierEC50 qualifierString
17EC50 published valueEC50 published valueFloatμM
18EC50 standard valueEC50 standard valueFloatnM
19EC50 data validityEC50 data validityString

* Activity Concentration.

Data Table (Concise)
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