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- Title
ChEMBL: a large-scale bioactivity database for drug discovery.
- Authors
Gaulton, Anna; Bellis, Louisa J; Bento, A Patricia; Chambers, Jon; Davies, Mark; Hersey, Anne; Light, Yvonne; McGlinchey, Shaun; Michalovich, David; Al-Lazikani, Bissan; Overington, John P
- 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
Nucleic acids research, 2012, Vol 40, Issue Database issue, pD1100
- ISSN
1362-4962
- Publication type
Journal Article
- DOI
10.1093/nar/gkr777