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ChEMBL 30 released

By Eloy

 


We are pleased to announce the release of ChEMBL 30. This version of the database, prepared on 22/02/2022 contains:
  • 2,786,911 compound records
  • 2,157,379 compounds (of which 2,136,187 have mol files)
  • 19,286,751 activities
  • 1,458,215 assays
  • 14,855 targets
  • 84,092 documents
Data can be downloaded from the ChEMBL FTP site: https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_30/

Please see ChEMBL_30 release notes for full details of all changes in this release: https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_30/chembl_30_release_notes.txt

New Deposited Datasets

EUbOPEN Chemogenomic Library (src_id = 55, ChEMBL Document ID CHEMBL4689842):
 
The EUbOPEN consortium is an Innovative Medicines Initiative (IMI) funded project to enable and unlock biology in the open. The aims of the project are to assemble an open access chemogenomic library comprising about 5,000 well annotated compounds covering roughly 1,000 different proteins, to synthesize at least 100 high-quality, open-access chemical probes and to develop infrastructure, technologies and platforms. Screening data generated during this 5 year project will be deposited in ChEMBL.

Donated Chemical Probes - SGC Frankfurt (src_id = 54, ChEMBL Document IDs CHEMBL4800721-CHEMBL4800732):
Data for new chemical probes has been added.
 

New Data Sources

Salvensis and LSHTM Schistosomiasis screening data (src_id=56):
IMI-CARE SARS-CoV-2 Data (src_id=57):

Updated Data Sources

Scientific Literature
Orange Book
Clinical Candidates
Gates Library compound collection
Patent Bioactivity Data
USP Dictionary of USAN and International Drug Names
Prodrug active ingredients
SARS-CoV-2 Screening Data
Manually Added Drugs
Donated Chemical Probes - SGC Frankfurt
Withdrawn Drugs
EUbOPEN Chemogenomic Library
MMV Pathogen Box
 
Patent Bioactivity Data include 10557 new activities from 29 patents from 2019 and 2020, as part of the Illuminating the Druggable Genome (IDG) project. These have enabled 8 targets to be promoted to the Tchem classification (see https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7818358/).

Database Changes

No schema changes.

Funding acknowledgements:

Work contributing to ChEMBL30 was funded by the Wellcome Trust, EMBL Member States, Open Targets, National Institutes of Health (NIH), EU Innovative Medicines Initiative 2 (IMI2) and EU Horizon 2020 programmes. Please see https://chembl.gitbook.io/chembl-interface-documentation/acknowledgments for more details.

If you require further information about ChEMBL, please contact us: chembl-help@ebi.ac.uk

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