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ChEMBL

ChEMBL
Chembl logo.png
Content
Description Biological database
Data types
captured
Molecules with drug-like properties and biological activity
Contact
Research center European Molecular Biology Laboratory
Laboratory United Kingdom European Bioinformatics Institute
Authors Andrew Leach, Team Leader 2016-Present; John Overington, Team Leader 2008-2015
Primary citation PMID 21948594
Release date 2009
Access
Website ChEMBL
Download URL Downloads
Web service URL ChEMBL Webservices
Sparql endpoint ChEMBL EBI-RDF Platform
Miscellaneous
License The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported Licence
Versioning ChEMBL_22

ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug-like properties. It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory (EMBL), based at the Wellcome Trust Genome Campus, Hinxton, UK.

The database, originally known as StARlite, was developed by a biotechnology company called Inpharmatica Ltd. later acquired by Galapagos NV. The data was acquired for EMBL in 2008 with an award from The Wellcome Trust, resulting in the creation of the ChEMBL chemogenomics group at EMBL-EBI, led by John Overington.

The ChEMBL database contains compound bioactivity data against drug targets. Bioactivity is reported in Ki, Kd, IC50, and EC50. Data can be filtered and analyzed to develop compound screening libraries for lead identification during drug discovery.

ChEMBL version 2 (ChEMBL_02) was launched in January 2010, including 2.4 million bioassay measurements covering 622,824 compounds, including 24,000 natural products. This was obtained from curating over 34,000 publications across twelve medicinal chemistry journals. ChEMBL's coverage of available bioactivity data has grown to become "the most comprehensive ever seen in a public database.". In October 2010 ChEMBL version 8 (ChEMBL_08) was launched, with over 2.97 million bioassay measurements covering 636,269 compounds.

ChEMBL_10 saw the addition of the PubChem confirmatory assays, in order to integrate data that is comparable to the type and class of data contained within ChEMBL.

ChEMBLdb can be accessed via a web interface or downloaded by . It is formatted in a manner amenable to computerized data mining, and attempts to standardize activities between different publications, to enable comparative analysis. ChEMBL is also integrated into other large-scale chemistry resources, including PubChem and the ChemSpider system of the Royal Society of Chemistry.


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