NIAID ChemDB

Characteristics and content

Since 1989, the ChemDB has been updated with information extracted from peer-reviewed published literature, conference proceedings and patents. Data are compiled on compound structure, chemical properties, biological activity (e.g. targeted protein, IC50, EC50, Cytotoxicity, TI, Ki, and or MIC), and reference details (e.g. Author, Journal).

The ChemDB web interface supports searching of biological, textual and chemical data using Oracle Text, the Accelrys Direct chemical search engine, and ChemAxon’s Marvin tools. These tools allow web users to search the database by comparing the degree of similarity or flexibility match to chemical structures that have either been uploaded or drawn. Additional Boolean searches can be combined with structure search to include other fields on interest, including target organism or Lipinski score. In addition to the publicly available web interface, whole database downloads can be obtained by the scientific research community. The database is used frequently in peer-reviewed scientific research.