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|Molecules with drug-like properties and biological activity|
|Research center||European Molecular Biology Laboratory|
|Laboratory||European Bioinformatics Institute|
|Authors||Andrew Leach, Team Leader 2016-Present; John Overington, Team Leader 2008-2015|
|Primary citation||PMID 21948594|
|Web service URL||ChEMBL Webservices|
|Sparql endpoint||ChEMBL EBI-RDF Platform|
|License||The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported Licence|
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.
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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