title: 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.
authors.affiliation: EMBL-European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK.
authors.forename: Anna
authors.initials: A
authors.lastname: Gaulton
authors.forename: Louisa J
authors.initials: LJ
authors.lastname: Bellis
authors.forename: A Patricia
authors.initials: AP
authors.lastname: Bento
authors.forename: Jon
authors.initials: J
authors.lastname: Chambers
authors.forename: Mark
authors.initials: M
authors.lastname: Davies
authors.forename: Anne
authors.initials: A
authors.lastname: Hersey
authors.forename: Yvonne
authors.initials: Y
authors.lastname: Light
authors.forename: Shaun
authors.initials: S
authors.lastname: McGlinchey
authors.forename: David
authors.initials: D
authors.lastname: Michalovich
authors.forename: Bissan
authors.initials: B
authors.lastname: Al-Lazikani
authors.forename: John P
authors.initials: JP
authors.lastname: Overington
mesh_terms: D016208:Databases, Factual; D030562:Databases, Protein; D055808:Drug Discovery; D006801:Humans; D004364:Pharmaceutical Preparations / Q000737:chemistry; D011506:Proteins / Q000737:chemistry / Q000378:metabolism; D014584:User-Computer Interface
chemical_list: D004364:Pharmaceutical Preparations; D011506:Proteins