Dataset Information

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.

SUBMITTER: Gaulton A

PROVIDER: S-EPMC3245175 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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

Gaulton Anna A Bellis Louisa J LJ Bento A Patricia AP Chambers Jon J Davies Mark M Hersey Anne A Light Yvonne Y McGlinchey Shaun S Michalovich David D Al-Lazikani Bissan B Overington John P JP

Nucleic acids research 20110923 Database issue

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 pr ...[more]

PMID: 21948594

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Dataset Information

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

Publications

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

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