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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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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cited_by cdi_FETCH-LOGICAL-c439t-d3fba267c95effb55260c26e0a4c7713db126adfad5d9ddb24f2b7889d6c61b03
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container_end_page D1107
container_issue D1
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container_title Nucleic acids research
container_volume 40
creator 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.
description 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.
doi_str_mv 10.1093/nar/gkr777
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source Oxford Journals website; PubMed Central
subjects Databases, Factual
Databases, Protein
Drug Discovery
Humans
Pharmaceutical Preparations - chemistry
Proteins - chemistry
Proteins - metabolism
User-Computer Interface
title ChEMBL: a large-scale bioactivity database for drug discovery
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