ChEMBL 32 is released!

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Withdrawn Drugs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

Comments

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