Structural interpretation of activity cliffs revealed by systematic analysis of structure-activity relationships in analog series

Journal of Chemical Information and Modeling

Volumn 49, Issue 10, 2009, Pages 2179-2189

  Sisay, Mihiret T ^a   Peltason, Lisa ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; LANDFORMS; LIGANDS; X RAYS;

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP METHODS; RECEPTOR-LIGAND INTERACTIONS; STRUCTURAL EXPLANATION; STRUCTURAL INFORMATION; STRUCTURAL INTERPRETATION; STRUCTURAL MODIFICATIONS; STRUCTURE ACTIVITY RELATIONSHIPS; SUBSTITUTION PATTERNS;

STRUCTURAL ANALYSIS;

ANGIOPOIETIN RECEPTOR; BLOOD CLOTTING FACTOR 10A; ENZYME INHIBITOR; THROMBIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMBINATORIAL CHEMISTRY; CONFORMATION; DRUG ANTAGONISM; DRUG DEVELOPMENT; METHODOLOGY; STRUCTURE ACTIVITY RELATION;

COMBINATORIAL CHEMISTRY TECHNIQUES; DRUG DISCOVERY; ENZYME INHIBITORS; FACTOR XA; MODELS, MOLECULAR; MOLECULAR CONFORMATION; RECEPTOR, TIE-2; STRUCTURE-ACTIVITY RELATIONSHIP; THROMBIN;

EID: 70350507116     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900243a     Document Type: Article

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