title: Structure-driven HtL: design and synthesis of novel aminoindazole inhibitors of c-Jun N-terminal kinase activity.
abstract: The design and synthesis of a new series of c-Jun N-terminal kinase inhibitors are reported. The novel series of substituted amino indazoles were designed based on a combination of hits from high-throughput screening and X-ray crystal structure information of the compounds crystallised into the JNK-1 ATP binding site.
authors.affiliation: Department of Medicinal Chemistry, AstraZeneca R&D Charnwood, Bakewell Road, Loughborough LE11 5RH, UK. mike.stocks@astrazeneca.com
authors.forename: Michael J
authors.initials: MJ
authors.lastname: Stocks
authors.forename: Simon
authors.initials: S
authors.lastname: Barber
authors.forename: Rhonan
authors.initials: R
authors.lastname: Ford
authors.forename: Frederic
authors.initials: F
authors.lastname: Leroux
authors.forename: Steve
authors.initials: S
authors.lastname: St-Gallay
authors.forename: Simon
authors.initials: S
authors.lastname: Teague
authors.forename: Yafeng
authors.initials: Y
authors.lastname: Xue
mesh_terms: D000255:Adenosine Triphosphate / Q000737:chemistry / Q000378:metabolism; D001665:Binding Sites; D018360:Crystallography, X-Ray; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000138:chemical synthesis* / Q000494:pharmacology*; D007191:Indazoles / Q000138:chemical synthesis* / Q000494:pharmacology*; D048031:JNK Mitogen-Activated Protein Kinases / Q000037:antagonists & inhibitors* / Q000378:metabolism; D048055:Mitogen-Activated Protein Kinase 8 / Q000037:antagonists & inhibitors / Q000378:metabolism; D008958:Models, Molecular; D015394:Molecular Structure; D013329:Structure-Activity Relationship
chemical_list: D004791:Enzyme Inhibitors; D007191:Indazoles; D000255:Adenosine Triphosphate; D048031:JNK Mitogen-Activated Protein Kinases; D048055:Mitogen-Activated Protein Kinase 8