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

Stefan Tasler; Oliver Müller; Tanja Wieber; Thomas Herz; Rolf Krauss; Frank Totzke; Michael H G Kubbutat; Christoph Schächtele

doi:10.1016/j.bmcl.2009.01.054

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

Bioorg Med Chem Lett. 2009 Mar 1;19(5):1349-56. doi: 10.1016/j.bmcl.2009.01.054. Epub 2009 Jan 22.

Authors

Stefan Tasler¹, Oliver Müller, Tanja Wieber, Thomas Herz, Rolf Krauss, Frank Totzke, Michael H G Kubbutat, Christoph Schächtele

Affiliation

¹ 4SC AG, Am Klopferspitz 19a, 82152 Planegg-Martinsried, Germany.

PMID: 19211246
DOI: 10.1016/j.bmcl.2009.01.054

Abstract

Starting with a hit from vHTS attained by a docking procedure of virtual compounds into ATP pockets of different kinases applying the 4SCan technology, variations of the adenine mimic resulted in the identification of promising scaffolds, giving rise to in vitro IC(50) values in the nanomolar range on different kinases down to 63nM.

Publication types

Comparative Study

MeSH terms

Benzothiazoles / chemical synthesis*
Benzothiazoles / metabolism
Binding Sites / physiology
Protein Kinase Inhibitors / chemical synthesis*
Protein Kinase Inhibitors / metabolism

Substances

Benzothiazoles
Protein Kinase Inhibitors