Focus : ChEMBL: a large-scale bioactivity database for drug discovery

ChEMBL is an Open Data database containing binding, functional and assessment of

in vivo absorption, distribution, metabolism, excretion and toxicity (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.

Source: ChEMBL: a large-scale bioactivity database for drug discovery.  Anna Gaulton, Louisa J. Bellis, A. Patricia Bento, Jon Chambers, Mark Davies, Anne Hersey, Yvonne Light, Shaun McGlinchey, David Michalovich, Bissan Al-Lazikani and John P. Overington. Nucleic Acids Research, 2011, 1–8 doi:10.1093/nar/gkr777

Free paper available at:

http://nar.oxfordjournals.org/content/early/2011/09/22/nar.gkr777.full-text-lowres.pdf

See also:

http://chembl.blogspot.com/2012/02/chembl-13-released.html