Chemogenomics.

This proposal seeks support to transfer a world class chemogenomic data resource from the private sector (BioFocus DPI/Galapagos) to the public domain and maintain it at the European Bioinformatics Institute. These pharmacological structure-activity-relationship (SAR) data characterise target-ligand interactions and provide the starting point for chemical biology and the knowledge-based design of lead molecules and their optimisation to viable drugs. To date such data have only been available pi ecemeal in the literature or commercially, and this has inhibited the engagement of academic laboratories in effective drug discovery. In this proposal our key goals are to secure the SAR data for the public domain; to establish the target-compound structure activity (SAR) database at EBI; to provide access to these data for life scientists through the web, through programmatic interfaces and by download; to establish a robust update pipeline, including manual curation; to integrate these data w ith other biological data resources at EBI and to promote exploitation of these data for translational research in academia by providing training. Such data will enable improved target identification for all diseases, including neglected third-world diseases, knowledge-based lead identification and optimisation, the design of smarter chemical libraries and in the future improved predictive toxicology.