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General Information
ChEMBL is an open, manually-curated, large-scale bioactivity database containing information from medicinal chemistry literature. 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 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.




How to cite this record FAIRsharing.org: ChEMBL; ChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.m3jtpg; Last edited: March 8, 2021, 10:33 a.m.; Last accessed: May 15 2021 11:44 a.m.

Publication for citation  ChEMBL: towards direct deposition of bioassay data. Mendez D,Gaulton A,Bento AP,Chambers J,De Veij M,Felix E,Magarinos MP,Mosquera JF,Mutowo P,Nowotka M,Gordillo-Maranon M,Hunter F,Junco L,Mugumbate G,Rodriguez-Lopez M,Atkinson F,Bosc N,Radoux CJ,Segura-Cabrera A,Hersey A,Leach AR; Nucleic Acids Res ; 2018; 10.1093/nar/gky1075;


This record is maintained by agaulton  ORCID

Record updated: March 8, 2021, 9:45 a.m. by The FAIRsharing Team.

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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)

The ChEMBL database in 2017.

Gaulton A,Hersey A,Nowotka M,Bento AP,Chambers J,Mendez D,Mutowo P,Atkinson F,Bellis LJ,Cibrian-Uhalte E,Davies M,Dedman N,Karlsson A,Magarinos MP,Overington JP,Papadatos G,Smit I,Leach AR
Nucleic Acids Res 2016

View Paper (PubMed) View Publication

ChEMBL: towards direct deposition of bioassay data.

Mendez D,Gaulton A,Bento AP,Chambers J,De Veij M,Felix E,Magarinos MP,Mosquera JF,Mutowo P,Nowotka M,Gordillo-Maranon M,Hunter F,Junco L,Mugumbate G,Rodriguez-Lopez M,Atkinson F,Bosc N,Radoux CJ,Segura-Cabrera A,Hersey A,Leach AR
Nucleic Acids Res 2018

View Paper (PubMed) View Publication

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Credit

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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 (The Wellcome Trust, UK)