ChEMBL: a large-scale bioactivity database for drug discovery

Anna Gaulton(European Bioinformatics Institute), Louisa J. Bellis(European Bioinformatics Institute), A. Patrícia Bento(European Bioinformatics Institute), Jon Chambers(European Bioinformatics Institute), Mark Davies(European Bioinformatics Institute), Anne Hersey(European Bioinformatics Institute), Yvonne Light(European Bioinformatics Institute), Shaun McGlinchey(European Bioinformatics Institute), David Michalovich(Scientific Consulting Group), Bissan Al‐Lazikani(Institute of Cancer Research), John P. Overington(European Bioinformatics Institute)
Nucleic Acids Research
September 23, 2011
10.1093/nar/gkr777
Cited by 4,419Open Access
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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.

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