ChEMBL: a large-scale bioactivity database for drug discovery

ChEMBL: a large-scale bioactivity database for drug discovery

2012, Vol. 40, Database issue | Anna Gaulton1, Louisa J. Bellis1, A. Patricia Bento1, Jon Chambers1, Mark Davies1, Anne Hersey1, Yvonne Light1, Shaun McGlinchey1, David Michalovich2, Bissan Al-Lazikani3 and John P. Overington1,*
ChEMBL is a comprehensive, open-access database that contains binding, functional, and ADMET (absorption, distribution, metabolism, excretion, and toxicity) information for a vast array of drug-like bioactive compounds. The data are manually abstracted from primary literature, curated, and standardized to ensure quality and utility across various chemical biology and drug-discovery research problems. Currently, ChEMBL includes 5.4 million bioactivity measurements for over 1 million compounds and 5200 protein targets. The database is accessible through a web interface, data downloads, and web services. It covers a wide range of targets, organisms, and bioactivity measurements, providing users with the ability to cluster and integrate information across studies. ChEMBL also includes structures and annotations for FDA-approved drugs, enhancing its utility for drug discovery and safety assessments. The database is regularly updated and integrated with other resources like PubChem BioAssay and BindingDB to maximize the utility of the data for researchers.ChEMBL is a comprehensive, open-access database that contains binding, functional, and ADMET (absorption, distribution, metabolism, excretion, and toxicity) information for a vast array of drug-like bioactive compounds. The data are manually abstracted from primary literature, curated, and standardized to ensure quality and utility across various chemical biology and drug-discovery research problems. Currently, ChEMBL includes 5.4 million bioactivity measurements for over 1 million compounds and 5200 protein targets. The database is accessible through a web interface, data downloads, and web services. It covers a wide range of targets, organisms, and bioactivity measurements, providing users with the ability to cluster and integrate information across studies. ChEMBL also includes structures and annotations for FDA-approved drugs, enhancing its utility for drug discovery and safety assessments. The database is regularly updated and integrated with other resources like PubChem BioAssay and BindingDB to maximize the utility of the data for researchers.
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