☆ 4.5 Article

N-substituted 2′-(aminoaryl)benzothiazoles as kinase inhibitors: Hit identification and scaffold hopping

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2009)

Journal

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Volume 19, Issue 5, Pages 1349-1356

Publisher

PERGAMON-ELSEVIER SCIENCE LTD

DOI: 10.1016/j.bmcl.2009.01.054

Keywords

Aurora; EGFR; Protein kinase; Molecular modeling; vHTS

Categories

Chemistry, Medicinal Chemistry, Organic

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Abstract

Starting with a hit from vHTS attained by a docking procedure of virtual compounds into ATP pockets of different kinases applying the 4SCan (R) technology, variations of the adenine mimic resulted in the identification of promising scaffolds, giving rise to in vitro IC50 values in the nanomolar range on different kinases down to 63 nM. (C) 2009 Elsevier Ltd. All rights reserved.

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