ChEMBL is a database of ca. 500,000 bioactive compounds, their quantitative properties and bioactivities (binding constants, pharmacology and ADMET, etc). The data is abstracted and curated from the primary scientific literature and the data made available due to funding by the Wellcome Trust.
Direct link to the database website:
http://www.ebi.ac.uk/chembldb/
The database is part of the ChEMBL resources at the EMBL-EBI (European Molecular Biology Laboratory's European Bioinformatics Institute).
Press release at: http://www.ebi.ac.uk/Information/News/pdf/Press18Jan10.pdf" "ChEMBLdb is a unique resource because of its focus on drug discovery and its size: information on an additional 100,000 compounds has been added to the database for its launch, taking the number of small molecules to over 520,000, and it contains over 2.4 million records of their effects on biological systems. The data include information about how small molecules bind to their targets, how these compounds affect cells and whole organisms, and information on the molecules' absorption, distribution, metabolism, excretion and toxicity."
This is a new resource and the creators invite feedback so that they can make future improvements.
Gail Nichol
Jan 26, 2010