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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Autores principales: 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.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2012
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3245175/
https://www.ncbi.nlm.nih.gov/pubmed/21948594
http://dx.doi.org/10.1093/nar/gkr777
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author 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.
author_facet 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.
author_sort Gaulton, Anna
collection PubMed
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.
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spelling pubmed-32451752012-01-10 ChEMBL: a large-scale bioactivity database for drug discovery 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. Nucleic Acids Res Articles 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. Oxford University Press 2012-01 2011-09-23 /pmc/articles/PMC3245175/ /pubmed/21948594 http://dx.doi.org/10.1093/nar/gkr777 Text en © The Author(s) 2011. Published by Oxford University Press. http://creativecommons.org/licenses/by-nc/3.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/3.0), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Articles
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.
ChEMBL: a large-scale bioactivity database for drug discovery
title ChEMBL: a large-scale bioactivity database for drug discovery
title_full ChEMBL: a large-scale bioactivity database for drug discovery
title_fullStr ChEMBL: a large-scale bioactivity database for drug discovery
title_full_unstemmed ChEMBL: a large-scale bioactivity database for drug discovery
title_short ChEMBL: a large-scale bioactivity database for drug discovery
title_sort chembl: a large-scale bioactivity database for drug discovery
topic Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3245175/
https://www.ncbi.nlm.nih.gov/pubmed/21948594
http://dx.doi.org/10.1093/nar/gkr777
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