ChEMBL

Recommended

General Information

ChEMBL is an open large-scale bioactivity database containing information largely manually extracted from the medicinal chemistry literature. Information regarding the compounds tested (including their structures), the biological or physicochemical assays performed on these and the targets of these assays are recorded in a structured form, allowing users to address a broad range of drug discovery questions.

Homepage https://www.ebi.ac.uk/chembldb

Developed in United Kingdom

Created in 2009

Taxonomic range

Not applicable

Knowledge Domains BETA

Subjects BETA

In the following recommendations:

How to cite this record FAIRsharing.org: ChEMBL; ChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.m3jtpg; Last edited: Jan. 17, 2019, 11:39 a.m.; Last accessed: Mar 26 2019 1:57 p.m.

This record is maintained by agaulton ORCID

Record updated: Jan. 17, 2019, 11:39 a.m. by The FAIRsharing Team.

Show edit history

Edits to 'https://fairsharing.org/FAIRsharing.m3jtpg' by 'The FAIRsharing Team' at 11:39, 17 Jan 2019 (approved):

	'onto_domains' has been modified:
		Before:
			Chemical structure image
			bioactivity assay
			drug
		After:
			Chemical structure image
			bioactivity assay
			drug
			small molecule
		Added:
			small molecule
		Removed:

Edits to 'https://fairsharing.org/FAIRsharing.m3jtpg' by 'The FAIRsharing Team' at 11:36, 17 Jan 2019 (approved):

	'organizations' has been modified:
		Before:
			NIH Common Fund, USA|https://commonfund.nih.gov|Funds
			Centre for Therapeutic Target Validation, Cambridge, UK|https://www.opentargets.org|Funds
			EU-ToxRisk|http://www.eu-toxrisk.eu|Funds
			Innovative Medicines Initiative (IMI), Brussles, Belgium|https://www.imi.europa.eu/content/etox|Funds
			The CORBEL Project|http://www.corbel-project.eu/home.html|Funds
			Wellcome Trust, UK|http://www.wellcome.ac.uk|Funds
			European Commission under FP7 Grant Agreement|http://ec.europa.eu/research/fp7/index_en.cfm?pg=documents|Funds
			Swiss Institute of Bioinformatics (SIB), Switzerland|https://www.sib.swiss|Maintains
		After:
			NIH Common Fund, USA|https://commonfund.nih.gov|Funds
			Centre for Therapeutic Target Validation, Cambridge, UK|https://www.opentargets.org|Funds
			EU-ToxRisk|http://www.eu-toxrisk.eu|Funds
			Innovative Medicines Initiative (IMI), Brussles, Belgium|https://www.imi.europa.eu/content/etox|Funds
			The CORBEL Project|http://www.corbel-project.eu/home.html|Funds
			Wellcome Trust, UK|http://www.wellcome.ac.uk|Funds
			European Commission under FP7 Grant Agreement|http://ec.europa.eu/research/fp7/index_en.cfm?pg=documents|Funds
			European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridgeshire, UK|https://www.ebi.ac.uk/|Maintains
		Added:
			European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridgeshire, UK|https://www.ebi.ac.uk/|Maintains
		Removed:
			Swiss Institute of Bioinformatics (SIB), Switzerland|https://www.sib.swiss|Maintains

	'taxonomies' has been modified:
		Before:
		After:
			Not applicable
		Added:
			Not applicable
		Removed:

	'supportLinks' has been modified:
		Before:
			FAQ|https://www.ebi.ac.uk/chembl/faq
			TeSS training|https://tess.elixir-europe.org/materials/chembl-quick-tour
			TeSS training|https://tess.elixir-europe.org/materials/chembl-walkthrough-webinar
			TeSS training|https://tess.elixir-europe.org/materials/chembl-exploring-bioactive-drug-like-molecules
			help|http://chembl.blogspot.com
			twitter|@chembl
			wikipedia|https://en.wikipedia.org/wiki/ChEMBL
		After:
			FAQ|https://www.ebi.ac.uk/chembl/faq
			TeSS training|https://tess.elixir-europe.org/materials/chembl-quick-tour
			TeSS training|https://tess.elixir-europe.org/materials/chembl-walkthrough-webinar
			TeSS training|https://tess.elixir-europe.org/materials/chembl-exploring-bioactive-drug-like-molecules
			blog|http://chembl.blogspot.com
			online documentation|http://chembl.github.io/status/
			online documentation|https://www.ebi.ac.uk/chembl/funding
			twitter|@chembl
			wikipedia|https://en.wikipedia.org/wiki/ChEMBL
		Added:
			blog|http://chembl.blogspot.com
			online documentation|http://chembl.github.io/status/
			online documentation|https://www.ebi.ac.uk/chembl/funding
		Removed:
			help|http://chembl.blogspot.com

	'countries' has been modified:
		Before:
		After:
			United Kingdom
		Added:
			United Kingdom
		Removed:

	'onto_disciplines' has been modified:
		Before:
		After:
			Biochemistry
			Drug Discovery
			Medicinal Chemistry
		Added:
			Biochemistry
			Drug Discovery
			Medicinal Chemistry
		Removed:

	'onto_domains' has been modified:
		Before:
		After:
			Chemical structure image
			bioactivity assay
			drug
		Added:
			Chemical structure image
			bioactivity assay
			drug
		Removed:

	'miriam_id' has been modified:
		Before: 
		After: MIR:00000084

	'dataProcesses' has been modified:
		Before:
			quarterly release
			manual curation
			access to historical files available
			web services
			file download (text,XLS,SDF exports)
			SQL database dump
			web-services (XML, JSON)
			search
		After:
			All Releases
			Access via EBI RDF
			myChEMBL Data Download (FTP)
			Browse ChEMBL-NTD
			Browse ChEMBL Malaria Subset
		Added:
			All Releases
			Access via EBI RDF
			myChEMBL Data Download (FTP)
			Browse ChEMBL-NTD
			Browse ChEMBL Malaria Subset
		Removed:
			quarterly release
			manual curation
			access to historical files available
			web services
			file download (text,XLS,SDF exports)
			SQL database dump
			web-services (XML, JSON)
			search

	'accessPoints' has been modified:
		Before:
			REST|http://www.biocatalogue.org/rest_methods/174|Compound record bioactivities
			REST|http://www.biocatalogue.org/rest_methods/173|Compound Record
			REST|http://www.biocatalogue.org/rest_methods/175|target record
			REST|http://www.biocatalogue.org/rest_methods/176|target bioactivities
			REST|http://www.biocatalogue.org/rest_methods/177|all targets
			REST|http://www.biocatalogue.org/rest_methods/178|Fetch assay
			REST|http://www.biocatalogue.org/rest_methods/179|Fetch assay bioactivities
			REST|http://www.biocatalogue.org/rest_methods/180|target record by RefSeq accession identifier
			REST|http://www.biocatalogue.org/rest_methods/181|ChEMBLdb target record by UniProt accession identifier 
		After:
			REST|http://www.biocatalogue.org/rest_methods/174|Compound record bioactivities
			REST|http://www.biocatalogue.org/rest_methods/173|Compound Record
			REST|http://www.biocatalogue.org/rest_methods/175|target record
			REST|http://www.biocatalogue.org/rest_methods/176|target bioactivities
			REST|http://www.biocatalogue.org/rest_methods/177|all targets
			REST|http://www.biocatalogue.org/rest_methods/178|Fetch assay
			REST|http://www.biocatalogue.org/rest_methods/179|Fetch assay bioactivities
			REST|http://www.biocatalogue.org/rest_methods/180|target record by RefSeq accession identifier
			REST|http://www.biocatalogue.org/rest_methods/181|ChEMBLdb target record by UniProt accession identifier 
			REST|https://www.ebi.ac.uk/chembl/ws|ChEMBL Web Services
		Added:
			REST|https://www.ebi.ac.uk/chembl/ws|ChEMBL Web Services
		Removed:

Edits to 'https://fairsharing.org/FAIRsharing.m3jtpg' by 'The FAIRsharing Team' at 10:16, 13 Aug 2018 (approved):

	'domains' has been modified:
		Before:
			Approved drug
			Biomedical Science
			Peptide
			Small molecule
		After:
		Added:
		Removed:
			Approved drug
			Biomedical Science
			Peptide
			Small molecule

	'standardsImplemented' has been modified:
		Before:
			Chemical Entities of Biological Interest
			Molecular Interaction eXtensible Markup Language
			PSI Molecular Interaction Controlled Vocabulary
			Molecular Interaction Tabular
			FASTA Sequence Format
			Structure Data Format
			Bioschemas
			Hierarchical Editing Language for Macromolecules
		After:
		Added:
		Removed:
			Chemical Entities of Biological Interest
			Molecular Interaction eXtensible Markup Language
			PSI Molecular Interaction Controlled Vocabulary
			Molecular Interaction Tabular
			FASTA Sequence Format
			Structure Data Format
			Bioschemas
			Hierarchical Editing Language for Macromolecules

	'taxonomies' has been modified:
		Before:
			All
		After:
		Added:
		Removed:
			All

	'related_databases' has been modified:
		Before:
			Guide to Pharmacology
			Wikidata
			The Chemical Probes Portal
			DrugCentral
			Target Central Resource Database
			Open Targets
			EPA Comptox Chemistry Dashboard
			SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs
		After:
		Added:
		Removed:
			Guide to Pharmacology
			Wikidata
			The Chemical Probes Portal
			DrugCentral
			Target Central Resource Database
			Open Targets
			EPA Comptox Chemistry Dashboard
			SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs

	'countries' has been modified:
		Before:
			European Union
		After:
		Added:
		Removed:
			European Union

Edits to 'https://fairsharing.org/FAIRsharing.m3jtpg' by 'The FAIRsharing Team' at 09:01, 31 Jul 2018 (approved):

	'supportLinks' has been modified:
		Before:
			TeSS training|https://tess.elixir-europe.org/materials/chembl-exploring-bioactive-drug-like-molecules
			TeSS training|https://tess.elixir-europe.org/materials/chembl-quick-tour
			TeSS training|https://tess.elixir-europe.org/materials/chembl-walkthrough-webinar
			help|http://chembl.blogspot.com
			twitter|@chembl
			wikipedia|https://en.wikipedia.org/wiki/ChEMBL
		After:
			FAQ|https://www.ebi.ac.uk/chembl/faq
			TeSS training|https://tess.elixir-europe.org/materials/chembl-quick-tour
			TeSS training|https://tess.elixir-europe.org/materials/chembl-walkthrough-webinar
			TeSS training|https://tess.elixir-europe.org/materials/chembl-exploring-bioactive-drug-like-molecules
			help|http://chembl.blogspot.com
			twitter|@chembl
			wikipedia|https://en.wikipedia.org/wiki/ChEMBL
		Added:
			FAQ|https://www.ebi.ac.uk/chembl/faq
		Removed:

	'tools' has been modified:
		Before:
			search tool||https://www.ebi.ac.uk/chembldb/
			web-services||https://www.ebi.ac.uk/chembl/ws
		After:
			SureChEMBL||https://www.surechembl.org/search/
			ADME SARfari||https://www.ebi.ac.uk/chembl/admesarfari
			RDF Platform||https://www.ebi.ac.uk/rdf/
			UniChem||https://www.ebi.ac.uk/unichem/
		Added:
			SureChEMBL||https://www.surechembl.org/search/
			ADME SARfari||https://www.ebi.ac.uk/chembl/admesarfari
			RDF Platform||https://www.ebi.ac.uk/rdf/
			UniChem||https://www.ebi.ac.uk/unichem/
		Removed:
			search tool||https://www.ebi.ac.uk/chembldb/
			web-services||https://www.ebi.ac.uk/chembl/ws

	'dataProcesses' has been modified:
		Before:
			quarterly release
			manual curation
			access to historical files available
			web interface
			file download (text,XLS,SDF exports)
			SQL database dump
			web-services (XML, JSON)
		After:
			quarterly release
			manual curation
			access to historical files available
			web services
			file download (text,XLS,SDF exports)
			SQL database dump
			web-services (XML, JSON)
			search
		Added:
			web services
			search
		Removed:
			web interface

Edits to 'https://fairsharing.org/FAIRsharing.m3jtpg' by 'The FAIRsharing Team' at 18:46, 11 Jul 2018 (approved):

	'name' has been modified:
		Before: ChEMBL: a large-scale bioactivity database for drug discovery
		After: ChEMBL

In Collections

Data Citation Implementation

ELIXIR Core Data Resources and Deposition Databases

Support

General

FAQ	ChEMBL FAQ
blog	ChEMBL Blog
online documentation	ChEMBL Uptime
online documentation	Further Funding Information
twitter	@chembl
wikipedia	ChEMBL Wikipedia Entry

Additional Information

Contact	John Overington ORCID
Identifiers.org	MIR:00000084

TeSS training resources

Chembl quick tour

Chembl walkthrough webinar

Chembl exploring bioactive drug like molecules

Tools

SureChEMBL	https://www.surechembl.org/search/
ADME SARfari	https://www.ebi.ac.uk/chembl/admesarfari
RDF Platform	https://www.ebi.ac.uk/rdf/
UniChem	https://www.ebi.ac.uk/unichem/

Access / Retrieve Data

Conditions of Use

Applies to: Data use

Creative Commons Attribution-ShareAlike 3.0 Unported (CC BY-SA 3.0)

Data Release

All Releases

https://www.ebi.ac.uk/chembl/downloads

Data Access

Access via EBI RDF	https://www.ebi.ac.uk/rdf/
myChEMBL Data Download (FTP)	ftp://ftp.ebi.ac.uk/pub/databases/chembl/VM/myChEMBL/current/
Browse ChEMBL-NTD	https://chembl.gitbook.io/chembl-ntd/
Browse ChEMBL Malaria Subset	https://www.ebi.ac.uk/chembl/malaria/

REST Web Services

Compound record bioactivities	http://www.biocatalogue.org/rest_methods/174
Compound Record	http://www.biocatalogue.org/rest_methods/173
target record	http://www.biocatalogue.org/rest_methods/175
target bioactivities	http://www.biocatalogue.org/rest_methods/176
all targets	http://www.biocatalogue.org/rest_methods/177
Fetch assay	http://www.biocatalogue.org/rest_methods/178
Fetch assay bioactivities	http://www.biocatalogue.org/rest_methods/179
target record by RefSeq accession identifier	http://www.biocatalogue.org/rest_methods/180
ChEMBLdb target record by UniProt accession identifier	http://www.biocatalogue.org/rest_methods/181
ChEMBL Web Services	https://www.ebi.ac.uk/chembl/ws

Publications

ChEMBL: a large-scale bioactivity database for drug discovery.

Gaulton A., Bellis LJ., Bento AP., Chambers J., Davies M., Hersey A., Light Y., McGlinchey S., Michalovich D., Al-Lazikani B., Overington JP.,
Nucleic Acids Res. 2012

View Paper (PubMed)

The ChEMBL bioactivity database: an update

Bento AP, Gaulton A, Hersey A, Bellis LJ, Chambers J, Davies M, Krüger FA, Light Y, Mak L, McGlinchey S, Nowotka M, Papadatos G, Santos R, Overington JP.
Nucleic Acids Res. 2013

View Paper (PubMed)

Related Standards

Reporting Guidelines

No guidelines defined

Terminology Artifacts

Chemical Entities of Biological Interest

Models and Formats

No syntax standards defined

Identifier Schemas

No identifier schema standards defined

Metrics

No metrics standards defined

Related Databases

Implementing Policies

Credit

Record Maintainer

This record is maintained by agaulton ORCID

Funds

NIH Common Fund, USA (Government body)
Centre for Therapeutic Target Validation, Cambridge, UK (Company)
EU-ToxRisk (Consortium)
Innovative Medicines Initiative (IMI), Brussles, Belgium (Consortium)
The CORBEL Project
Wellcome Trust, UK (Charitable foundation)
European Commission under FP7 Grant Agreement (Government body)

Maintains

European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridgeshire, UK (Research institute) Lead

Grant Number(s)

115002 (Innovative Medicines Initiative (IMI), Brussles, Belgium)
602156 (European Commission under FP7 Grant Agreement)
654248 (The CORBEL Project)
681002 (EU-ToxRisk)
CTTV008 (Centre for Therapeutic Target Validation, Cambridge, UK)
U54CA189205 (NIH Common Fund, USA)
WT086151/Z/08/Z (Wellcome Trust, UK)

ChEMBL

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