Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin-2 Inducible T-Cell Kinase (ITK) Inhibitors

Journal of Medicinal Chemistry

Volumn 59, Issue 9, 2016, Pages 4352-4363

  Heifetz, Alexander ^a   Trani, Giancarlo ^a   Aldeghi, Matteo ^b   Mackinnon, Colin H ^a   McEwan, Paul A ^a   Brookfield, Frederick A ^a   Chudyk, Ewa I ^a   Bodkin, Mike ^a   Pei, Zhonghua ^c   Burch, Jason D ^c   Ortwine, Daniel F ^c  

^a EVOTEC UK LTD   (United Kingdom)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c GENENTECH INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZOTHIAZOLE ITK INHIBITOR; INDAZOLE ITK INHIBITOR; PROTEIN TYROSINE KINASE INHIBITOR; SULFONYLPYRIDINE ITK INHIBITOR; TETRAHYDROINDAZOLE ITK INHIBITOR; UNCLASSIFIED DRUG; BENZOTHIAZOLE DERIVATIVE; EMT PROTEIN-TYROSINE KINASE; INDAZOLE DERIVATIVE; INTERLEUKIN 2; PROTEIN KINASE INHIBITOR; PROTEIN TYROSINE KINASE; PYRIDINE DERIVATIVE;

ALLERGIC ASTHMA; ARTICLE; DEFENSE MECHANISM; DRUG DESIGN; DRUG METABOLISM; DRUG POTENCY; DRUG SOLUBILITY; ENZYME INHIBITION; FRAGMENT MOLECULAR ORBITAL METHOD; HIGH THROUGHPUT SCREENING; METHODOLOGY; MOLECULAR INTERACTION; X RAY CRYSTALLOGRAPHY; ANTAGONISTS AND INHIBITORS; BIOSYNTHESIS; CHEMISTRY; ENZYME INDUCTION; MOLECULAR MODEL; PHYSIOLOGY; QUANTUM THEORY;

BENZOTHIAZOLES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INDUCTION; INDAZOLES; INTERLEUKIN-2; MODELS, MOLECULAR; PROTEIN KINASE INHIBITORS; PROTEIN-TYROSINE KINASES; PYRIDINES; QUANTUM THEORY;

EID: 84969533567     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.6b00045     Document Type: Article

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