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BioAssay: AID 631101

Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay

Imidazo[1,5-a]quinoxalines were synthesized that function as irreversible Bruton's tyrosine kinase (BTK) inhibitors. The syntheses and SAR of this series of compounds are presented as well as the X-ray crystal structure of the lead compound 36 in complex with a gate-keeper variant of ITK enzyme. The lead compound showed good in vivo efficacy in preclinical RA models. ..more
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 Tested Compounds
 Tested Compounds
All(38)
 
 
Active(37)
 
 
Unspecified(1)
 
 
 Tested Substances
 Tested Substances
All(38)
 
 
Active(37)
 
 
Unspecified(1)
 
 
 Related BioAssays
 Related BioAssays
AID: 631101
Data Source: ChEMBL (788549)
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2012-09-09
Modify Date: 2014-05-24

Data Table ( Complete ):           View Active Data    View All Data
BioActive Compounds: 37
Description:
Title: Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.

Abstract: Imidazo[1,5-a]quinoxalines were synthesized that function as irreversible Bruton's tyrosine kinase (BTK) inhibitors. The syntheses and SAR of this series of compounds are presented as well as the X-ray crystal structure of the lead compound 36 in complex with a gate-keeper variant of ITK enzyme. The lead compound showed good in vivo efficacy in preclinical RA models.
(PMID: 21958547)
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: 11842
Target Type: SINGLE PROTEIN
Pref Name: Tyrosine-protein kinase Lyn
Synonyms: Lck/Yes-related novel protein tyrosine kinase;p53Lyn;p56Lyn;Tyrosine-protein kinase Lyn;V-yes-1 Yamaguchi sarcoma viral related oncogene homolog;
Gene Name: JTK8;LYN;
Protein Accession: P07948;
Protein GI: 125480;
Organism: Homo sapiens
Tax ID: 9606
Target Classification: enzyme kinase protein kinase tk src
Confidence: Homologous single protein target assigned
Relationship Type: Homologous protein target assigned
Categorized Comment - additional comments and annotations
From ChEMBL:
Assay Type: Binding
Assay Data Source: Scientific Literature
BAO: Assay Format: cell-based format
Assay Cell Type: Sf9
Assay Test Type: In vitro
Result Definitions
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TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1IC50*IC50 PubChem standard valueFloatμM
3BEIBinding Efficiency Index(nM)Float
2SEISurface 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 valueFloatnM
10IC50 standard valueIC50 standard valueFloatnM

* Activity Concentration.

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