ChEMBL: a large-scale bioactivity database for drug discovery

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 u...

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Bibliographic Details
Published in:Nucleic acids research 2012-01, Vol.40 (D1), p.D1100-D1107
Main 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.
Format: Article
Language:English
Subjects:
Databases, Factual
Databases, Protein
Drug Discovery
Humans
Pharmaceutical Preparations - chemistry
Proteins - chemistry
Proteins - metabolism
User-Computer Interface
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Description
Summary: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.
ISSN:0305-1048
1362-4962
DOI:10.1093/nar/gkr777