| AurSCOPE® Kinase Database
Most drug discovery research focuses on a few target families, among them kinases. Kinases are key to several signaling pathways and regulate various cellular phenomenons. Kinase modulators have significant potential in treating several diseases including cancer, inflammatory disorders or diabetes.
The AurSCOPE® Kinase knowledge base encompasses kinases, modulator-relevant chemical data associated with quantitative biological activities and mechanisms of action. All chemical and bioactivity data are organized in an Oracle database according to the Aureus AurSCOPE® relational data model.
AurSCOPE® Kinase is deployable through the Aureus web portal AurWEB® or as an in-house enterprise solution.
Main Features
Structure-activity data culled from international scientific journals and patents (US, Euro & international)
Covers all kinases with published SAR data,with a special focus on human kinome
Detailed descriptions of the experimental methods and conditions used to generate activity data points
Data organized in relational tables according to: chemical information, protein target information, bioactivity and experimental methods
Chemical Information
Registered ligands always associated with at least one quantitative experimental biological data
Compound descriptions including structure, name, synonyms, pharmaceutical codes, therapeutic class, calculated physicochemical parameters and SMILES
Druggability assessments using graphical representation based on Lipinski/Weber rules
AurSCOPE® Kinase Uses - See Example
Medicinal chemists, cheminformaticians, pharmacologists and biologists can:
Retrieve ligands tested as kinase inhibitor or activator
Assess ligands’ mechanism of action, study structure activity relationships to guide compound optimization
Access in vitro and in vivo pharmacological activity data, materials and methods used
Search records via text and numeric queries (biological activity and biological data field searches)
Export data to SD files, .txt and .xls formats
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