Bookmark and Share
BioAssay: AID 721427

Inhibition of cathepsin S in human JY cells assessed as invariant chain-li degradation

Novel classes of tetrahydropyrido-pyrazole thioether amines and arylalkynes that display potency against human Cathepsin S have been previously reported. Here, key pharmacophoric elements of these two classes are merged, and SAR investigations of the P4 region are described, in conjunction with re-optimization of the P5 and P1/P1'/P3 regions. Identification of meta-substituted arylalkynes with good potency and improved solubility is described. ..more
_
   
 Tested Compounds
 Tested Compounds
All(31)
 
 
Active(21)
 
 
Inconclusive(5)
 
 
Unspecified(5)
 
 
 Tested Substances
 Tested Substances
All(31)
 
 
Active(21)
 
 
Inconclusive(5)
 
 
Unspecified(5)
 
 
 Related BioAssays
 Related BioAssays
AID: 721427
Data Source: ChEMBL (933993)
Depositor Category: Literature, Extracted
Deposit Date: 2013-11-07

Data Table ( Complete ):           Active    All
Target
Sequence: RecName: Full=Cathepsin S; Flags: Precursor
Description ..   
Protein Family: Peptidase_C1A
Comment ..   

Gene:CTSS     Related Protein 3D Structures     More BioActivity Data..
BioActive Compounds: 21
Description:
Title: Pyrazole-based arylalkyne cathepsin S inhibitors. Part III: modification of P4 region.

Abstract: Novel classes of tetrahydropyrido-pyrazole thioether amines and arylalkynes that display potency against human Cathepsin S have been previously reported. Here, key pharmacophoric elements of these two classes are merged, and SAR investigations of the P4 region are described, in conjunction with re-optimization of the P5 and P1/P1'/P3 regions. Identification of meta-substituted arylalkynes with good potency and improved solubility is described.
(PMID: 23313244)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Categorized Comment
ChEMBL Assay Type: Binding

ChEMBL Assay Data Source: Scientific Literature

ChEMBL Target ID: 11534

ChEMBL Target Type: Target is a single protein chain

Result Definitions
Show more
TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1IC50*IC50 PubChem standard valueFloatμM
2BEIBinding Efficiency Index(nM)Float
3SEISurface 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 valueFloatμM
10IC50 standard valueIC50 standard valueFloatnM
11IC50 binding domainsIC50 binding domainsString

* Activity Concentration.

Data Table (Concise)
Classification
PageFrom: