ChEMBL: a large-scale bioactivity database for drug discovery.
Article Details
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Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP
ChEMBL: a large-scale bioactivity database for drug discovery.
Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7. doi: 10.1093/nar/gkr777. Epub 2011 Sep 23.
- PubMed ID
- 21948594 [ View in PubMed]
- 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.
DrugBank Data that Cites this Article
- Drug Targets
Drug Target Kind Organism Pharmacological Action Actions Isoetharine Beta-2 adrenergic receptor Protein Humans UnknownAgonistDetails Mercaptopurine Amidophosphoribosyltransferase Protein Humans UnknownInhibitorDetails Oxymetazoline Alpha-1B adrenergic receptor Protein Humans UnknownAgonistDetails Oxymetazoline Alpha-1D adrenergic receptor Protein Humans UnknownAgonistDetails Oxymetazoline Alpha-2B adrenergic receptor Protein Humans YesAgonistDetails Tolazoline Histamine H2 receptor Protein Humans UnknownAgonistDetails