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BioAssay: AID 751859

Binding affinity to human prostanoid EP2 receptor by radioligand displacement assay

A new class of serotonin 5-HT1A receptor ligands related to NAN-190, buspirone and aripiprazole has been designed using our potent 5-HT3 receptor ligands as templates. The designed pyrrolidone derivatives 10a-n were prepared by means of the straightforward chemistry consisting in the reaction of the appropriate gamma-haloester derivatives with the suitable arylpiperazinylalkylamines. The more ..
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 Tested Compounds
 Tested Compounds
All(1)
 
 
Active(1)
 
 
 Tested Substances
 Tested Substances
All(1)
 
 
Active(1)
 
 
AID: 751859
Data Source: ChEMBL (966045)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2014-05-03
Modify Date: 2014-08-23

Data Table ( Complete ):           View Active Data    View All Data
Target
Sequence: RecName: Full=Prostaglandin E2 receptor EP2 subtype; Short=PGE receptor EP2 subtype; Short=PGE2 receptor EP2 subtype; AltName: Full=Prostanoid EP2 receptor
Description ..   
Comment ..   

Gene:PTGER2     Conserved Domain     Related Protein 3D Structures     More BioActivity Data..
BioActive Compound: 1
Description:
Title: Synthesis and structure-activity relationship studies in serotonin 5-HT(1A) receptor agonists based on fused pyrrolidone scaffolds.

Abstract: A new class of serotonin 5-HT1A receptor ligands related to NAN-190, buspirone and aripiprazole has been designed using our potent 5-HT3 receptor ligands as templates. The designed pyrrolidone derivatives 10a-n were prepared by means of the straightforward chemistry consisting in the reaction of the appropriate gamma-haloester derivatives with the suitable arylpiperazinylalkylamines. The nanomolar 5-HT1A receptor affinity and the agonist-like profile shown by fused pyrrolidone derivatives 10k,m stimulated the rationalization of the interaction with an homology model of the 5-HT1A receptor and the evaluation of their selectivity profiles and the pharmacokinetic properties. Interestingly, the results of the profiling assays suggested for close congeners 10k,m a significantly divergent binding pattern with compound 10m showing an appreciable selectivity for 5-HT1AR.
(PMID: 23466604)
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
1IC50*IC50 PubChem standard valueFloatμM
2IC50 activity commentIC50 activity commentString
3IC50 standard flagIC50 standard flagInteger
4IC50 qualifierIC50 qualifierString
5IC50 published valueIC50 published valueFloat10'-9M
6IC50 standard valueIC50 standard valueFloatnM
7IC50 Binding Efficiency Index(nM)IC50 Binding Efficiency Index(nM)Float
8IC50 Surface Efficiency Index(nM)IC50 Surface Efficiency Index(nM)Float
9IC50 Ligand EfficiencyIC50 Ligand EfficiencyFloat
10IC50 Lipophilic Ligand EfficiencyIC50 Lipophilic Ligand EfficiencyFloat
11Ki activity commentKi activity commentString
12Ki standard flagKi standard flagInteger
13Ki qualifierKi qualifierString
14Ki published valueKi published valueFloat10'-9M
15Ki standard valueKi standard valueFloatnM
16Ki Binding Efficiency Index(nM)Ki Binding Efficiency Index(nM)Float
17Ki Surface Efficiency Index(nM)Ki Surface Efficiency Index(nM)Float
18Ki Ligand EfficiencyKi Ligand EfficiencyFloat
19Ki Lipophilic Ligand EfficiencyKi Lipophilic Ligand EfficiencyFloat

* Activity Concentration.

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