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

No country information defined

Created in 2009

In the following recommendations:

How to cite this record FAIRsharing.org: ChEMBL; ChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.m3jtpg; Last edited: Aug. 13, 2018, 11:52 a.m.; Last accessed: Oct 18 2018 1:18 a.m.

This record is maintained by agaulton ORCID

Record updated: Aug. 13, 2018, 10:16 a.m. by The FAIRsharing Team.

Show edit history

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 node contributed resources

Support

General

FAQ	FAQ
help	http://chembl.blogspot.com
twitter	@chembl
wikipedia	https://en.wikipedia.org/wiki/ChEMBL

Additional Information

Contact

John Overington ORCID

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 Versioning

access to historical files available

No link recorded

Data Release

quarterly release

No link recorded

Data Curation

manual curation

No link recorded

Data Access

web services	https://www.ebi.ac.uk/chembl/ws
file download (text,XLS,SDF exports)	No link recorded
SQL database dump	No link recorded
web-services (XML, JSON)	No link recorded
search	https://www.ebi.ac.uk/chembldb/

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

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

No semantic standards defined

Models and Formats

No syntax standards defined

Related Databases

Complex Portal

Implementing Policies

Credit

Record Maintainer

This record is maintained by agaulton ORCID

Funds

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

Maintains

Swiss Institute of Bioinformatics (SIB), Switzerland (Research institute)

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, United Kingdom)
U54CA189205 (NIH Common Fund, USA)
WT086151/Z/08/Z (Wellcome Trust, UK)

ChEMBL

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