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BioAssay: AID 751652

Displacement of [3H]PGE2 from human recombinant prostanoid EP4 receptor in CHEM1 cells after 2 hrs

A high-throughput screen (HTS) was conducted against stably propagated cancer stem cell (CSC)-enriched populations using a library of 300,718 compounds from the National Institutes of Health (NIH) Molecular Libraries Small Molecule Repository (MLSMR). A cinnamide analog displayed greater than 20-fold selective inhibition of the breast CSC-like cell line (HMLE_sh_Ecad) over the isogenic control cell line (HMLE_sh_eGFP). Herein, we report structure-activity relationships of this class of cinnamides for selective lethality towards CSC-enriched populations. ..more
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 Tested Compounds
 Tested Compounds
All(1)
 
 
Active(1)
 
 
 Tested Substances
 Tested Substances
All(1)
 
 
Active(1)
 
 
AID: 751652
Data Source: ChEMBL (965436)
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 EP4 subtype; Short=PGE receptor EP4 subtype; Short=PGE2 receptor EP4 subtype; AltName: Full=Prostanoid EP4 receptor
Description ..   
Protein Family: Serpentine type 7TM GPCR chemoreceptor Srx
Comment ..   

Gene:PTGER4     Related Protein 3D Structures     More BioActivity Data..
BioActive Compound: 1
Description:
Title: Cinnamides as selective small-molecule inhibitors of a cellular model of breast cancer stem cells.

Abstract: A high-throughput screen (HTS) was conducted against stably propagated cancer stem cell (CSC)-enriched populations using a library of 300,718 compounds from the National Institutes of Health (NIH) Molecular Libraries Small Molecule Repository (MLSMR). A cinnamide analog displayed greater than 20-fold selective inhibition of the breast CSC-like cell line (HMLE_sh_Ecad) over the isogenic control cell line (HMLE_sh_eGFP). Herein, we report structure-activity relationships of this class of cinnamides for selective lethality towards CSC-enriched populations.
(PMID: 23403082)
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
BAO: Assay Format: cell-based format
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 valueFloatnM
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 valueFloatnM
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
Classification
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