Database and resources managing and hosting chemical compound

  • PubChem PubChem project is an open public repository and maintain three types of information, namely, substance, compound and BioAssays.
  • ChEMBL ChEMBL is a manually curated database that provides comprehensive information about 1 million bioactive compounds with 8200 drug targets.
  • Zinc Maintains information about all the commercially available compounds. This database contains 21 million compounds available for virtual screening.
  • ChemDB Database of commercially available small molecules. it contains around five million chemicals
  • ChemSpider  Associated with a list of predicted molecular properties as well as possibly available experimental data, spectra etc.
  • MMsINC
  • KEGG KEGG contains association of chemicals in pathway and diseases
  • SMPDB
  • HMDB
  • PDBeChem
  • PDB-Bind
  • BindingDB
  • NCI NCI database has more than 275,000 small molecule structures, a very useful resource for researchers working in the filled of cancer/AIDS
  • CDD
  • DrugBank
  • HMRbase
  • BIAdb
  • NPACT
  • SuperNatural A searchable database of available natural compounds
  • HIT
  • Drugs@FDA