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Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy.

Abstract：

:Inhibition of Itk potentially constitutes a novel, nonsteroidal treatment for asthma and other T-cell mediated diseases. In-house kinase cross-screening resulted in the identification of an aminopyrazole-based series of Itk inhibitors. Initial work on this series highlighted selectivity issues with several other kinases, particularly AurA and AurB. A template-hopping strategy was used to identify a series of aminobenzothiazole Itk inhibitors, which utilized an inherently more selective hinge binding motif. Crystallography and modeling were used to rationalize the observed selectivity. Initial exploration of the SAR around this series identified potent Itk inhibitors in both enzyme and cellular assays.

journal_name

ACS Med Chem Lett

journal_title

ACS medicinal chemistry letters

authors

Alder CM,Ambler M,Campbell AJ,Champigny AC,Deakin AM,Harling JD,Harris CA,Longstaff T,Lynn S,Maxwell AC,Mooney CJ,Scullion C,Singh OM,Smith IE,Somers DO,Tame CJ,Wayne G,Wilson C,Woolven JM

doi

10.1021/ml400206q

subject

Has Abstract

pub_date

2013-08-12 00:00:00

pages

948-52

issue

10

issn

1948-5875

journal_volume

4

pub_type

杂志文章

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