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ChEMBL: a large-scale bioactivity database for drug discovery

2011; Oxford University Press; Volume: 40; Issue: D1 Linguagem: Inglês

10.1093/nar/gkr777

1362-4962

Anna Gaulton, Louisa J. Bellis, A. Patrícia Bento, Jon Chambers, Mark Davies, Anne Hersey, Yvonne Light, Shaun McGlinchey, David Michalovich, Bissan Al‐Lazikani, John P. Overington,

Plant biochemistry and biosynthesis

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.