Drug-Related Databases

Drug-Related Databases



  • ChemBank
    ChemBank is a public, web-based informatics environment funded in large part by the National Cancer Institute's Initiative for Chemical Genetics (ICG). This knowledge environment includes freely available data derived from small molecules and small-molecule screens, and resources for studying the data so that biological and medical insights can be gained.
  • US National Cancer Institute Developmental Therapeutics Programs
    This Database includes the following:
    • Investigational Drugs - Chemical Information
      Chemical Information: chemical and physical data on compounds that are past or present candidates in the DTP program. Chemical structures, names, biological data (activity in human tumor cell line screens), toxicity data, solubility, stability, UV, and HPLC data are included.
    • DTP Data Search
    • COMPARE
      Database and Analysis tools for cancer research: A probe or "seed" compound can be specified by using the compound's NCI accession number (the NSC number). The COMPARE algorithm then proceeds to rank an entire database in the order of the similarity of the responses of the 60 cell lines to the compounds in the database to the responses of the cell lines to the seed compound.
    • NCI Screening Data 3D Miner
      The database in its first release contained 216,089 names (of 45,229 compounds) from the original DTP tables, 44,804 AIDS antiviral screening results, 41.000 anti-tumor, and 122,631 CAS numbers from the original DTP sources.
    • Pharmabase
      The database is an ongoing interactive forum on the use of pharmacological compounds in cellular research. Registration required but free.
    • Biopharmaceutical Products in the U.S and European Markets
      Can search products using several different variables. Partial access only without subscription.
    • National Drug Code Directory (USA)
      Sponsored by the FDA, this directory is limited to prescription drugs and insulin products that have been manufactured, prepared, propagated, compounded, or processed by registered establishments for commercial distribution. Search instructions provided.
    • DrugBank
      Contains chemical, pharmaceutical, medical, and molecular biological information on more than 3,000 drug targets and 4,100 approved or experimental drug products.
    • HIV/OI/TB Therapeutics Database
      Sponsored by the US NIAID Division of AIDS
    • Therapeutic Target Databases
      A database to provide information about the known and explored therapeutic protein and nucleic acid targets, the targeted disease, pathway information and the corresponding drugs/ligands directed at each of these targets.
    • Enhanced NCI Database Browser
      The National Cancer Institute (NCI) database consists of approximately 250,000 structures, which several different search capabilities.
    • Calculation of Molecular Properties and Drug-Likeness
      Calculate the properties or predict bioactivity after drawing chemical structures.



      Resources complied with special thanks to Indiana University's chemical informatics & cyberinfrastructure collaboratory.