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Oxford University Press, Nucleic Acids Research, D1(40), p. D1100-D1107, 2011

DOI: 10.1093/nar/gkr777

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ChEMBL: a large-scale bioactivity database for drug discovery

Journal article published in 2011 by Anna Gaulton, A. Patricia Bento, Louisa J. Bellis ORCID, A. Patricia Bento, Jon Chambers, Mark Davies, Anne Hersey ORCID, Yvonne Light, Shaun McGlinchey, David Michalovich, Bissan Al-Lazikani, John P. Overington
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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.