ChEMBL: a large-scale bioactivity database for drug discovery

Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7. doi: 10.1093/nar/gkr777. Epub 2011 Sep 23.

Abstract

ChEMBL is an Open Data database containing binding, functional and ADMET information for a large number of drug-like bioactive compounds. These data are manually abstracted from the primary published literature on a regular basis, then further curated and standardized to maximize their quality and utility across a wide range of chemical biology and drug-discovery research problems. Currently, the database contains 5.4 million bioactivity measurements for more than 1 million compounds and 5200 protein targets. Access is available through a web-based interface, data downloads and web services at: https://www.ebi.ac.uk/chembldb.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Databases, Factual*
  • Databases, Protein
  • Drug Discovery*
  • Humans
  • Pharmaceutical Preparations / chemistry
  • Proteins / chemistry
  • Proteins / metabolism
  • User-Computer Interface

Substances

  • Pharmaceutical Preparations
  • Proteins