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Design of Selective Benzoxazepin PI3Kδ Inhibitors Through Control of Dihedral Angles.
Safina, Brian S; Elliott, Richard L; Forrest, Andrew K; Heald, Robert A; Murray, Jeremy M; Nonomiya, Jim; Pang, Jodie; Salphati, Laurent; Seward, Eileen M; Staben, Steven T; Ultsch, Mark; Wei, Binqing; Yang, Wenqian; Sutherlin, Daniel P.
Afiliación
  • Safina BS; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
  • Elliott RL; Discovery from Charles River, 8-9 Spire Green Centre, Harlow, Essex CM 19 5TR, United Kingdom.
  • Forrest AK; Discovery from Charles River, 8-9 Spire Green Centre, Harlow, Essex CM 19 5TR, United Kingdom.
  • Heald RA; Discovery from Charles River, 8-9 Spire Green Centre, Harlow, Essex CM 19 5TR, United Kingdom.
  • Murray JM; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
  • Nonomiya J; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
  • Pang J; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
  • Salphati L; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
  • Seward EM; Discovery from Charles River, 8-9 Spire Green Centre, Harlow, Essex CM 19 5TR, United Kingdom.
  • Staben ST; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
  • Ultsch M; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
  • Wei B; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
  • Yang W; ChemPartner, 998 Halei Road, Zhangjiang Hi-tech Park, Pudong New Area, Shanghai 201203, China.
  • Sutherlin DP; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
ACS Med Chem Lett ; 8(9): 936-940, 2017 Sep 14.
Article en En | MEDLINE | ID: mdl-28947940
ABSTRACT
A novel selective benzoxazepin inhibitor of PI3Kδ has been discovered. Beginning from compound 3, an αPI3K inhibitor, we utilized structure-based drug design and computational analysis of dihedral torsion angles to optimize for PI3Kδ isoform potency and isoform selectivity. Further medicinal chemistry optimization of the series led to the identification of 24, a highly potent and selective inhibitor of PI3Kδ.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: ACS Med Chem Lett Año: 2017 Tipo del documento: Article País de afiliación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: ACS Med Chem Lett Año: 2017 Tipo del documento: Article País de afiliación: Estados Unidos