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BioAssay: AID 603730

Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting

The observation that 17-cyclopropylmethylmorphinan derivatives without the 4,5-epoxy ring showed more kappa selectivity than those with a 4,5-epoxy ring led us to develop a working hypothesis: the position of the plane composed of the A and B rings would influence the opioid receptor type selectivity and that the decrease in the torsion angle C11-C12-C13-C14 could improve the kappa selectivity. Consistent with our hypothesis, KNT-42 with an N-cyclopropylmethyl propellane structure, whose A and B rings were fixed in a torsion angle of approximately 0#, showed kappa selective agonist activity. ..more
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 Tested Compounds
 Tested Compounds
All(10)
 
 
Active(10)
 
 
 Tested Substances
 Tested Substances
All(11)
 
 
Active(11)
 
 
AID: 603730
Data Source: ChEMBL (753740)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2012-04-30
Modify Date: 2014-08-24

Data Table ( Complete ):           View Active Data    View All Data
Target
Sequence: RecName: Full=Mu-type opioid receptor; Short=M-OR-1; Short=MOR-1
Description ..   
Comment ..   

Gene:OPRM1     Conserved Domain     Related Protein 3D Structures     More BioActivity Data..
BioActive Compounds: 10
Description:
Title: Synthesis of new opioid derivatives with a propellane skeleton and their pharmacology: part 1.

Abstract: The observation that 17-cyclopropylmethylmorphinan derivatives without the 4,5-epoxy ring showed more kappa selectivity than those with a 4,5-epoxy ring led us to develop a working hypothesis: the position of the plane composed of the A and B rings would influence the opioid receptor type selectivity and that the decrease in the torsion angle C11-C12-C13-C14 could improve the kappa selectivity. Consistent with our hypothesis, KNT-42 with an N-cyclopropylmethyl propellane structure, whose A and B rings were fixed in a torsion angle of approximately 0#, showed kappa selective agonist activity.
(PMID: 21641798)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.
Categorized Comment - additional comments and annotations
From BioAssay Depositor:
Assay Type: Binding
Target Type: Target is a single protein chain
Assay Data Source: Scientific Literature
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 valueFloatnM
10Ki standard valueKi standard valueFloatnM
11Ki binding domainsKi binding domainsString

* Activity Concentration.

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