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- Withdrawn Drugs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
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