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ChEMBL 32 is released!

By Eloy

 

We are pleased to announce the release of ChEMBL 32! This release of ChEMBL comes with a complete update of drug and clinical candidate information, the addition on a Natural Product likeness score and a harmonization of Journal Name abbreviations according to NLM standards.

This version of the database, prepared on 26/01/2023 contains:

  • 2,354,965 compounds (of which 2,327,928 have mol files)            
  • 2,995,433 compound records (non-unique compounds)
  • 20,038,828 activities
  • 1,536,903 assays
  • 15,139 targets
  • 86,364 documents

 

Please see ChEMBL 32 release notes for full details of all changes in this release. Data can be downloaded from the ChEMBL FTP site.

Please note that on demand Oracle 19c dumps will not be provided anymore after the ChEMBL 34 release.

New Deposited Datasets

  • CHEMBL5058649 - Data for DCP probe BAY 1816032*
  • CHEMBL5058643 - Data for DCP probe BI-2081*
  • CHEMBL5058646 - Data for DCP probe CCT369260*
  • CHEMBL5058644 - Data for DCP probe JNJ-39758979*
  • CHEMBL5058645 - Data for DCP probe JNJ-6204*
  • CHEMBL5058647 - Data for DCP probe JNJ-9350*
  • CHEMBL5058648 - Data for DCP probe SAFit2*
  • CHEMBL5058641 - Data for DCP probe TP-050*
  • CHEMBL5058642 - Data for DCP probe TP-051*
  • CHEMBL5060014 - EUbOPEN Chemogenomics Library wave 2 - DSF
  • CHEMBL5069381 - ITC assay results for EUbOPEN Chemical Probe Library
  • CHEMBL5095002 - International Nonproprietary Names for Pharmaceutical Substances (INN)
  • CHEMBL5058564 - Tm Shift (DSF) assay results for EUbOPEN Chemogenomics Library 2 (Incuyte)
  • CHEMBL5058577 - Tm Shift (DSF) assay results for EUbOPEN Chemogenomics Library 2 (Multiplex)
  • CHEMBL5058541 - Tm Shift (DSF) assay results for EUbOPEN Chemogenomics Library 2 (NanoBRET)

* = All part of the Donated Chemical Probes source


New Sources

  • International Nonproprietary Names


Updated Sources

  • Scientific Literature (spanning publication dates from March 1974 until  April 2022)
  • Orange Book
  • Clinical Candidates
  • Patent Bioactivity Data
  • USP Dictionary of USAN and International Drug Names
  • Prodrug active ingredients
  • Manually Added Drugs
  • Donated Chemical Probes (DCP) - SGC Frankfurt
  • WHO Anatomical Therapeutic Chemical Classification
  • Withdrawn Drugs
  • EUbOPEN Chemogenomic Library


Database changes since the last release

Journal names have been harmonised and standardised according to the National Library of Medicine (NLM) standards.

Tables that have been deprecated since ChEMBL 31

  • PROTEIN_FAMILY_CLASSIFICATION


Fields that have been deprecated since ChEMBL 31

  • MOLECULE_DICTIONARY.WITHDRAWN_YEAR
  • MOLECULE_DICTIONARY.WITHDRAWN_COUNTRY
  • MOLECULE_DICTIONARY.WITHDRAWN_REASON
  • MOLECULE_DICTIONARY.WITHDRAWN_CLASS
  • MOLECULE_DICTIONARY.NATURAL_PRODUCT
  • USAN_STEMS.WHO_EXTRA


Fields that have been added since ChEMBL 31

  • COMPOUND_PROPERTIES.NP_LIKENESS_SCORE
  • DRUG_WARNING.EFO_TERM
  • DRUG_WARNING.EFO_ID
  • DRUG_WARNING.EFO_ID_FOR_WARNING_CLASS


Field types that have been changed into FLOAT since ChEMBL 31

  • MOLECULE_DICTIONARY.MAX_PHASE
  • DRUG_INDICATION.MAX_PHASE_FOR_IND



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

  • To receive updates when new versions of ChEMBL are available, please sign up to our mailing list: http://listserver.ebi.ac.uk/mailman/listinfo/chembl-announce
  • For general queries/feedback please email: chembl-help@ebi.ac.uk
  • For details of upcoming webinars, please see: http://chembl.blogspot.com/search/label/Webinar

 

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