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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.
259:
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.
532:
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".
340:
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.
929:
358:), 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.
294:, and attempts to standardize activities between different publications, to enable comparative analysis. ChEMBL is also integrated into other large-scale chemistry resources, including
314:
In addition to the database, the ChEMBL group have developed tools and resources for data mining. These include Kinase SARfari, an integrated chemogenomics workbench focussed on
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In
December 2013, the operations of the SureChem patent informatics database were transferred to EMBL-EBI. In a portmanteau, SureChem was renamed SureChEMBL.
950:
364:, the ChEMBL virtual machine, was released in October 2013 to allow users to access a complete and free, easy-to-install cheminformatics infrastructure.
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measurements covering 622,824 compounds, including 24,000 natural products. This was obtained from curating over 34,000 publications across twelve
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The database, originally known as StARlite, was developed by a biotechnology company called
Inpharmatica Ltd. later acquired by
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586:"Mining the ChEMBL Database: An Efficient Chemoinformatics Workflow for Assembling an Ion Channel-Focused Screening Library"
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Bellis, L J; et al. (2011). "Collation and data-mining of literature bioactivity data for drug discovery".
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467:"Open access drug discovery database launches with half a million compounds | Wellcome"
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ChEMBL version 2 (ChEMBL_02) was launched in
January 2010, including 2.4 million
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101:
Andrew Leach, Team Leader 2016-Present; John
Overington, Team Leader 2008-2015
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329:, and ChEMBL-Neglected Tropical Diseases (ChEMBL-NTD) is a repository for
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Chemical database of bioactive molecules also having drug-like properties
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374:- a tool for predicting and comparing cross-species ADME targets.
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770:"ADME SARfari: Comparative Genomics of Drug Metabolising Systems"
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molecules with drug inducing properties. It is maintained by the
1094:
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243:. The data was acquired for EMBL in 2008 with an award from The
229:
136:
858:
417:"ChEMBL: a large-scale bioactivity database for drug discovery"
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ChEMBLdb can be accessed via a web interface or downloaded by
634:
Brenk, R; Schinpani, A; James, D; Krasowski, A (March 2008).
916:
Sainsbury
Wellcome Centre for Neural Circuits and Behaviour
333:
primary screening and medicinal chemistry data directed at
851:
Open data and drug discovery blog run by the ChEMBL team.
290:. It is formatted in a manner amenable to computerized
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228:(EBI), of the European Molecular Biology Laboratory (
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354:, sponsored by the Medicines for Malaria Venture (
972:Wellcome Trust Centre for the History of Medicine
1033:Coalition for Epidemic Preparedness Innovations
325:GPCR SARfari is a similar workbench focused on
370:2014 saw the introduction of the new resource
870:
499:"Databases: Compound bioactivities go public"
8:
21:
584:Mok, N. Yi; Brenk, Ruth (24 October 2011).
251:group at EMBL-EBI, led by John Overington.
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247:, resulting in the creation of the ChEMBL
20:
839:ChEMBL-Neglected Tropical Disease Archive
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1455:Science and technology in Cambridgeshire
1405:Wellcome Trust Principal Research Fellow
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191:Creative Commons Attribution-Share Alike
56:Molecules with drug-like properties and
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189:The ChEMBL data is made available on a
930:WTC for Gene Regulation and Expression
384:ChEMBL: Quick Tour on EBI Train OnLine
1409:Wellcome Trust Senior Research Fellow
75:European Molecular Biology Laboratory
7:
1374:Institutional Strategic Support Fund
343:July 2012 saw the release of a new
275:ChEMBL_10 saw the addition of the
14:
226:European Bioinformatics Institute
92:European Bioinformatics Institute
1419:
1418:
989:
734:Biochemical Society Transactions
415:Gaulton, A; et al. (2011).
85:
27:
1368:Collaborative Awards in Science
1080:Malawi Liverpool Wellcome Trust
768:Davies, M; et al. (2015).
1371:Investigator Awards in Science
977:Wellcome Research Laboratories
942:WTC for Molecular Parasitology
939:WTC for Mitochondrial Research
685:ChEMBL-og (15 November 2010),
1:
1460:South Cambridgeshire District
788:10.1093/bioinformatics/btv010
925:WTC for Cell-Matrix Research
234:Wellcome Trust Genome Campus
1070:Genome Reference Consortium
1018:Cambridge Biomedical Campus
429:(Database issue): D1100-7.
1481:
951:WTC for Stem Cell Research
304:Royal Society of Chemistry
1416:
1178:Executive leadership team
987:
956:Wellcome Sanger Institute
708:ChEMBL-og (6 June 2011),
555:10.1007/s10822-009-9260-9
535:J. Comput.-Aided Mol. Des
26:
920:Science Learning Centres
1377:Science Strategic Award
1136:Eliza Manningham-Buller
999:Projects and facilities
907:Francis Crick Institute
504:Nature Chemical Biology
173:ChEMBL EBI-RDF Platform
1359:Awards and fellowships
1110:Wellcome Genome Campus
1038:COSMIC cancer database
935:WTC for Human Genetics
893:Centres and institutes
654:10.1002/cmdc.200700139
422:Nucleic Acids Research
288:File Transfer Protocol
216:is a manually curated
1401:Wellcome Trust Centre
1398:Wellcome Image Awards
1023:Cancer Genome Project
1445:Biological databases
1075:Human Genome Project
1048:Diamond Light Source
1006:1000 Genomes Project
946:WTC for Neuroimaging
591:J. Chem. Inf. Model.
518:10.1038/nchembio.354
345:malaria data service
310:Associated resources
193:3.0 Unported Licence
1394:Wellcome Book Prize
1386:Sir Henry Wellcome
1105:Wellcome Collection
547:2009JCAMD..23..195W
269:medicinal chemistry
58:biological activity
45:Biological database
23:
1450:Chemical databases
1201:Peter Pereira Gray
1129:Board of governors
832:2016-05-15 at the
747:10.1042/BST0391365
711:ChEMBL_10 Released
688:ChEMBL_08 Released
497:Bender, A (2010).
435:10.1093/nar/gkr777
350:2016-07-30 at the
160:ChEMBL Webservices
1432:
1431:
1146:Tobias Bonhoeffer
985:
984:
782:(10): 1695–1697.
603:10.1021/ci200260t
597:(10): 2449–2454.
473:. 18 January 2010
338:tropical diseases
218:chemical database
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1268:Other key people
1233:Former directors
1207:Chonnettia Jones
1141:Michael Ferguson
1115:Wellcome Library
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912:Gurdon Institute
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255:Scope and access
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1388:Postdoctoral
1345:John Sulston
1340:David Stuart
1320:Anne Johnson
1258:Mark Walport
1222:James Thomas
1169:Fiona Powrie
1052:
1027:
1010:
844:GPCR SARfari
779:
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715:, retrieved
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692:, retrieved
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579:
541:(4): 195–8.
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475:. Retrieved
470:
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372:ADME SARfari
369:
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241:Galapagos NV
238:
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209:
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143:Download URL
120:Release date
18:
1335:David Steel
1330:Peter Rigby
1305:Roger Gibbs
1290:Harold Cook
1260:(2003–2013)
1254:(1998–2008)
1248:(1991–1998)
1242:(1965–1991)
1216:Kathy Poole
1213:Nick Moakes
1012:Big Picture
694:15 November
641:ChemMedChem
331:Open Access
292:data mining
154:Web service
41:Description
1439:Categories
1390:Fellowship
1382:Fellowship
1325:Roy Porter
1310:Henry Dale
1295:Kay Davies
1225:Ed Whiting
1210:Tim Livett
1198:Alyson Fox
1189:Chris Bird
1150:Alan Brown
1100:UK Biobank
511:(5): 309.
400:References
300:ChemSpider
199:Versioning
81:Laboratory
51:Data types
1219:Jim Smith
477:31 August
222:bioactive
203:ChEMBL_28
147:Downloads
1425:Category
1120:WormBase
1065:Farmcare
1043:DECIPHER
830:Archived
822:ChEMBLdb
806:25964657
755:21936816
672:18064617
621:21978256
563:19194660
453:21948594
394:DrugBank
378:See also
362:myChEMBL
348:Archived
298:and the
265:bioassay
214:ChEMBLdb
169:endpoint
114:21948594
53:captured
1060:Ensembl
900:Current
797:4426839
663:2628535
612:3200031
571:2946417
543:Bibcode
444:3245175
335:endemic
316:kinases
296:PubChem
277:PubChem
185:License
133:Website
98:Authors
64:Contact
36:Content
1085:MEROPS
1028:ChEMBL
965:Former
804:
794:
753:
717:9 June
670:
660:
619:
609:
569:
561:
451:
441:
281:assays
210:ChEMBL
167:Sparql
137:ChEMBL
128:Access
112:
22:ChEMBL
1054:eLife
567:S2CID
389:ChEBI
327:GPCRs
1095:Rfam
1090:Pfam
802:PMID
751:PMID
719:2011
696:2010
668:PMID
617:PMID
559:PMID
479:2019
449:PMID
230:EMBL
123:2009
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792:PMC
784:doi
743:doi
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