Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2014 Jan;42(Database issue):D1083-90.
doi: 10.1093/nar/gkt1031. Epub 2013 Nov 7.

The ChEMBL bioactivity database: an update

A Patrícia Bento  1 , Anna Gaulton, Anne Hersey, Louisa J Bellis, Jon Chambers, Mark Davies, Felix A Krüger, Yvonne Light, Lora Mak, Shaun McGlinchey, Michal Nowotka, George Papadatos, Rita Santos, John P Overington
Affiliations

The ChEMBL bioactivity database: an update

A Patrícia Bento et al. Nucleic Acids Res. 2014 Jan.

Abstract

ChEMBL is an open large-scale bioactivity database (https://www.ebi.ac.uk/chembl), previously described in the 2012 Nucleic Acids Research Database Issue. Since then, a variety of new data sources and improvements in functionality have contributed to the growth and utility of the resource. In particular, more comprehensive tracking of compounds from research stages through clinical development to market is provided through the inclusion of data from United States Adopted Name applications; a new richer data model for representing drug targets has been developed; and a number of methods have been put in place to allow users to more easily identify reliable data. Finally, access to ChEMBL is now available via a new Resource Description Framework format, in addition to the web-based interface, data downloads and web services.

PubMed Disclaimer

Figures

Figure 1.
Figure 1.
Frequency distribution for approved drugs, showing the number of years taken for a drug to be approved after a USAN was assigned to it.
Figure 2.
Figure 2.
For rapid visual comparison, the ChEMBL interface displays a set of icons that summarize features of the chemical compound/ingredient (green icons) as well as any marketed products (blue icons).
Figure 3.
Figure 3.
Screen capture showing enhancements to the ChEMBL Target Report Card. The Target Components section shows which proteins are components of this target (in this case members of the protein family), whereas the Target Relations section shows other targets that are related to this one because they share one or more of those components. The Approved Drugs section shows that there are approved products that are believed to exert at least part of their efficacy through inhibition of phosphodiesterase 4.
See this image and copyright information in PMC

Similar articles

See all similar articles

Cited by

See all "Cited by" articles

References

    1. Besnard J, Ruda GF, Setola V, Abecassis K, Rodriguiz RM, Huang XP, Norval S, Sassano MF, Shin AI, Webster LA, et al. Automated design of ligands to polypharmacological profiles. Nature. 2012;492:215–220. - PMC - PubMed
    1. Hu Y, Bajorath J. Extending the activity cliff concept: structural categorization of activity cliffs and systematic identification of different types of cliffs in the ChEMBL database. J. Chem. Inf. Model. 2012;52:1806–1811. - PubMed
    1. Lounkine E, Keiser MJ, Whitebread S, Mikhailov D, Hamon J, Jenkins JL, Lavan P, Weber E, Doak AK, Cote S, et al. Large-scale prediction and testing of drug activity on side-effect targets. Nature. 2012;486:361–367. - PMC - PubMed
    1. Wirth M, Zoete V, Michielin O, Sauer WH. SwissBioisostere: a database of molecular replacements for ligand design. Nucleic Acids Res. 2013;41:D1137–D1143. - PMC - PubMed
    1. Halling-Brown MD, Bulusu KC, Patel M, Tym JE, Al-Lazikani B. canSAR: an integrated cancer public translational research and drug discovery resource. Nucleic Acids Res. 2012;40:D947–D956. - PMC - PubMed

Publication types

-