The Kinase Database is the Aureus Sciences' knowledge base encompassing 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 relational data model.
- 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
- 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
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
Protein Target Information - Hierarchically organized kinase target by names, acronyms and synonyms
- Target descriptions including species, action site and transfection method
- Description of clinically relevant drug-resistant kinase variants and of in vitro engineered mutants
- Links to Uniprot (SwissProt), GenBank and Protein Data Bank (PDB) where available
- Detailed biological material descriptions (species, tissue, cell, etc.)
- Extensive in vitro (enzymology, cell proliferation, binding, flux) and in vivo experimental methods
- Drug target selectivity
- In vivo protocols, including preclinical models of antitumor activities, described by all experimental model details and compound route of administration
- Pharmacokinetics data where appropriate
- All activity data points with normalized parameters and units
- Reference to the journals, patents and links to PubMed and Espacenet
- Main Features
Uses
Medicinal chemists, cheminformaticians, pharmacologists and biologists use the knowledge base to:
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