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Nucleic Acids Res. Jan 2012; 40(Database issue): D1100–D1107.
Published online Sep 23, 2011. doi:  10.1093/nar/gkr777
PMCID: PMC3245175

ChEMBL: a large-scale bioactivity database for drug discovery

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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