Knowledgebase · FAIRsharing
ChEMBL
ELIXIR Compounds and reactionsBioassays and chemical biologyImages and microscopy
ChEMBL is an open, manually-curated, large-scale bioactivity database integrating data records extracted from medicinal chemistry literature, from deposited data sets, as well as other public data sources. It brings together chemical, bioactivity and genomic data to aid the translation of genomic information into effective new drugs. Information regarding the compounds tested (including their chemical structures), the biological or physicochemical assays performed on these and the targets of these assays are recorded in a structured form, standardized, and annotated with controlled vocabularies to allow users to address a broad range of drug discovery questions.
- Website
- Record in FAIRsharing (doi:10.25504/FAIRsharing.m3jtpg)
- Service of ELIXIR: ChEMBL
- Subjects: Biochemistry, Drug Discovery, Genomics, Medicinal Chemistry
Documentation, events and training
bio.tools API and tool documentation
- ChEMBL API documentation (same name)
TeSS Training materials (9)
- 7th Advanced in silico Drug Design workshop lectures
- ChEMBL workshop for drug design
- Data management in Medicinal Chemistry (linked to the bio.tools entry)
- A guide to accessing ChEMBL and UniChem through an API
- A guide to exploring drug-like compounds and their biological targets using ChEMBL
- Exploring ChEMBL Data with the new ChEMBL Interface
- ChEMBL: Quick tour
- SPARQL endpoints at BiGCaT
- Protein-ligand docking (linked to the bio.tools entry)
TeSS Events (16)
- Small molecules and their protein targets: interactions, function, and classification 2026-09-10
- An introduction to EMBL-EBI resources 2026-01-14
- Chemicals in a biological context: metabolites, drugs, and beyond 2025-11-13
- ChEMBL workshop for drug design 2025-09-05
- 8th Advanced in silico Drug Design workshop 2025 2025-01-27
- Small molecule chemistry: from proteins to pathways 2024-11-28
- I made my code open - now what? Steps to a thriving open software project 2024-10-23
- I made my code open - now what? Steps to a thriving open software project 2024-10-23
- 6th Advanced in silico Drug Design workshop/challenge 2023 2023-01-30 (linked to the bio.tools entry)
- Chemical biology Q&A session 2022-12-07
- and 6 more
FAIR4ChemNL Training materials (1)
What is known per question
The questions of the decision tree, with what FAIRsharing says about this repository. ✓ supported, ✗ excluded, ? not known. Your own answers are marked.
What kind of data do you want to archive?
- ? Spectra
- ? Crystal structures
- ? Computational chemistry
- ? Catalysis
- ✓ Compounds and reactions
- ✓ Bioassays and chemical biology
- ? Materials and polymers
- ✓ Images and microscopy
- ? Something else
Subjects: Biochemistry; Drug Discovery; Genomics; Medicinal Chemistry
Domains: Chemical structure image; bioactive entity; chemical entity; drug; genome; small molecule; tissue
Does the journal or publisher you publish with require or recommend a repository?
- ? Yes
- ? No
- ? I do not know
FAIRsharing has no information on this.
Which discipline does your data belong to?
FAIRsharing has no information on this.
Which publisher?
FAIRsharing has no information on this.
Does your funder have requirements for where data is archived?
- ? Yes
- ? No
- ? I do not know
FAIRsharing has no information on this.
Which funder?
FAIRsharing has no information on this.
Does your institution offer a data repository?
- ? Yes
- ? No
- ? I do not know
FAIRsharing has no information on this.
Which institution?
FAIRsharing has no information on this.
Can your data be shared openly?
- ✓ Yes, openly available
- ? Yes, after an embargo
- ✗ Only with restrictions
Data access: open
Data deposition: controlled: Loading data to ChEMBL is largely by invitation only.
How large is your dataset?
- ? Less than 1 GB
- ? 1 GB to 50 GB
- ? 50 GB to 1 TB
- ? More than 1 TB
FAIRsharing has no information on this.
Why can the data not be open?
- ? It contains personal data
- ? Commercial or intellectual property reasons
- ? Safety or security concerns
- ? A data sharing agreement limits it
FAIRsharing has no information on this.
Under which license do you want to share the data?
- ? CC0 / public domain
- ? CC BY
- ? Another open license
- ? Not decided yet
Licences: Creative Commons Attribution-ShareAlike 3.0 Unported (CC BY-SA 3.0); EMBL-EBI Terms of Use
Do you need a persistent identifier, such as a DOI, for citing the data?
- ? Yes, a DOI
- ? Any persistent identifier will do
- ? No
FAIRsharing has no information on this.
Must the data be stored in a specific region?
- ? In the European Union
- ? In a specific country
- ✓ No preference
Country: Austria; Belgium; Croatia; Czech Republic; Denmark; Finland; France; Germany; Greece; Hungary; Iceland; Ireland; Israel; Italy; Lithuania; Luxembourg; Malta; Montenegro; Netherlands; Norway; Portugal; Slovakia; Spain; Sweden; Switzerland; United Kingdom
Must archiving be free of charge?
- ? Yes, free only
- ? A fee is fine
FAIRsharing has no information on this.
Which country?
✓ 14 of 15 in the list ✗ excludes 1
Country: Austria; Belgium; Croatia; Czech Republic; Denmark; Finland; France; Germany; Greece; Hungary; Iceland; Ireland; Israel; Italy; Lithuania; Luxembourg; Malta; Montenegro; Netherlands; Norway; Portugal; Slovakia; Spain; Sweden; Switzerland; United Kingdom