N-substituted 2'-(aminoaryl)benzothiazoles as kinase inhibitors: hit identification and scaffold hopping.
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.
Tasler
Stefan
S
4SC AG, Am Klopferspitz 19a, 82152 Planegg-Martinsried, Germany.
Müller
Oliver
O
Wieber
Tanja
T
Herz
Thomas
T
Krauss
Rolf
R
Totzke
Frank
F
Kubbutat
Michael H G
MH
Schächtele
Christoph
C
D052160:Benzothiazoles / Q000138:chemical synthesis* / Q000378:metabolism; D001665:Binding Sites / Q000502:physiology; D047428:Protein Kinase Inhibitors / Q000138:chemical synthesis* / Q000378:metabolism
D052160:Benzothiazoles; D047428:Protein Kinase Inhibitors