EMBL or ChEMBLdb is a manually curated chemical database of
bioactive molecules with drug-like properties. It is maintained by
European Bioinformatics Institute
European Bioinformatics Institute (EBI), of the European Molecular
Laboratory (EMBL), based at the
Wellcome Trust Genome Campus,
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.
1 Scope and access
2 Associated resources
3 See also
5 External links
Scope and access
EMBL 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.
EMBL 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 Ch
EMBL 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 File
Transfer Protocol. It is formatted in a manner amenable to
computerized data mining, and attempts to standardize activities
between different publications, to enable comparative analysis.
EMBL is also integrated into other large-scale chemistry resources,
PubChem and the
ChemSpider system of the Royal Society of
In addition to the database, the Ch
EMBL group have developed tools and
resources for data mining. These include Kinase SARfari, an
integrated chemogenomics workbench focussed on kinases. The system
incorporates and links sequence, structure, compounds and screening
GPCR SARfari is a similar workbench focused on GPCRs, and
ChEMBL-Neglected Tropical Diseases (ChEMBL-NTD) is a repository for
Open Access primary screening and medicinal chemistry data directed at
endemic tropical diseases of the developing regions of the Africa,
Asia, and the Americas. The primary purpose of ChEMBL-NTD is to
provide a freely accessible and permanent archive and distribution
centre for deposited data.
July 2012 saw the release of a new malaria data service, sponsored by
the Medicines for Malaria Venture (MMV), aimed at researchers around
the globe. The data in this service includes compounds from the
Malaria Box screening set, as well as the other donated malaria data
found in ChEMBL-NTD.
myChEMBL, the Ch
EMBL virtual machine, was released in October 2013 to
allow users to access a complete and free, easy-to-install
In December 2013, the operations of the SureChem patent informatics
database were transferred to EMBL-EBI. In a portmanteau, SureChem was
2014 saw the introduction of the new resource ADME SARfari - a tool
for predicting and comparing cross-species ADME targets.
ChEMBL: Quick Tour on EBI Train OnLine
^ a b Gaulton, A; et al. (2011). "ChEMBL: a large-scale bioactivity
database for drug discovery". Nucleic Acids Research. 40: D1100–7.
doi:10.1093/nar/gkr777. PMC 3245175 . PMID 21948594.
^ a b c Bender, A (2010). "Databases: Compound bioactivities go
public". Nature Chemical Biology. 6: 309. doi:10.1038/nchembio.354.
^ Overington J (April 2009). "ChEMBL. An interview with John
Overington, team leader, chemogenomics at the European Bioinformatics
Institute Outstation of the European Molecular Biology Laboratory
(EMBL-EBI). Interview by Wendy A. Warr". J. Comput.-Aided Mol. Des. 23
(4): 195–8. Bibcode:2009JCAMD..23..195W.
doi:10.1007/s10822-009-9260-9. PMID 19194660.
^ Mok, N. Yi; Brenk, Ruth (Oct 24, 2011). "Mining the Ch
An Efficient Chemoinformatics Workflow for Assembling an Ion
Channel-Focused Screening Library".
J. Chem. Inf. Model. 51 (10):
^ Brenk, R; Schinpani, A; James, D; Krasowski, A (Mar 2008). "Lessons
learnt from assembling screening libraries for drug discovery for
neglected diseases". ChemMedChem. 3 (3): 435–44.
^ ChEMBL-og (15 November 2010), ChEMBL_08 Released, retrieved
^ ChEMBL-og (6 June 2011), ChEMBL_10 Released, retrieved
^ Bellis, L J; et al. (2011). "Collation and data-mining of literature
bioactivity data for drug discovery". Biochemical Society
Transactions. 39: 1365–1370. doi:10.1042/BST0391365.
PMID 21936816. Retrieved 2011-09-24.
^ Davies, M; et al. "ADME SARfari: Comparative Genomics of Drug
Metabolising Systems". Bioinformatics.
doi:10.1093/bioinformatics/btv010. Retrieved 2015-01-08.
Wikidata has the property: Ch
EMBL IDs (P592) (see talk; uses)
ChEMBL-Neglected Tropical Disease Archive
The ChEMBL-og Open data and drug discovery blog run by the ChEMBL
Centres and institutes
Francis Crick Institute
Sainsbury Wellcome Centre for Neural Circuits and Behaviour
Science Learning Centres
WTC for Cell-Matrix Research
WTC for Gene Regulation and Expression
WTC for Human Genetics
WTC for Mitochondrial Research
WTC for Molecular Parasitology
WTC for Neuroimaging
WTC for Stem Cell Research
Wellcome Sanger Institute
Wellcome Trust Centre for the History of Medicine
Wellcome Research Laboratories
Projects and facilities
1000 Genomes Project
Cambridge Biomedical Campus
Cancer Genome Project
COSMIC cancer database
Diamond Light Source
Genome Reference Consortium
Human Genome Project
Malawi Liverpool Wellcome Trust
Wellcome Genome Campus
Board of Governors
Peter Williams (1965–1991)
Bridget Ogilvie (1991–1998)
Michael Dexter (1998–2008)
Mark Walport (2003–2013)
Other key people
Awards and fellowships
Collaborative Awards in Science
Investigator Awards in Science
Institutional Strategic Support Fund
Science Strategic Award
Sir Henry Dale Fellowship
Henry Wellcome Postdoctoral Fellowship
Wellcome Book Prize
Wellcome Image Awards
Wellcome Trust Centre
Wellcome Trust Principal Research Fellow
Wellcome Trust Senior Research Fellow