Skip to main content

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  • Withdrawn Drugs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


Fields that have been deprecated since ChEMBL 31


Fields that have been added since ChEMBL 31


Field types that have been changed into FLOAT since ChEMBL 31


If you require further information about ChEMBL, please contact us:

  • To receive updates when new versions of ChEMBL are available, please sign up to our mailing list:
  • For general queries/feedback please email:
  • For details of upcoming webinars, please see:



Popular posts from this blog

UKQSAR Spring 2023 Meeting Announcement

    The next UKQSAR meeting will be held at the European Bioinformatic Institute (EBI) on 20th April. This is where the ChEMBL team is also located! It would be great to welcome you for the occasion and have a chat if you have any questions on our services! See below for the official announcement. The meeting is free but you have to register.  -------------- UK-QSAR Spring 2023 meeting Thursday 20th April 2023 / 9:00 AM - 17:00 PM / Wellcome Genome Campus, Hinxton, Cambridgeshire  The Spring UKQSAR & Cheminformatics Group Meeting will be held at the Wellcome Genome Campus, Hinxton, Cambridge, on Thursday 20th April 2022. The meeting is organised jointly by EMBL-EBI and Sosei Heptares, and as always is free. The theme this time is “Learning from data” and for the occasion three of the most relevant databases for our fields will be introduced (PubChem, ChEMBL and the Cambridge Structural Database). The afternoon sessions will be focused on protein structure-based

LSH-based similarity search in MongoDB is faster than postgres cartridge.

TL;DR: In his excellent blog post , Matt Swain described the implementation of compound similarity searches in MongoDB . Unfortunately, Matt's approach had suboptimal ( polynomial ) time complexity with respect to decreasing similarity thresholds, which renders unsuitable for production environments. In this article, we improve on the method by enhancing it with Locality Sensitive Hashing algorithm, which significantly reduces query time and outperforms RDKit PostgreSQL cartridge . myChEMBL 21 - NoSQL edition    Given that NoSQL technologies applied to computational chemistry and cheminformatics are gaining traction and popularity, we decided to include a taster in future myChEMBL releases. Two especially appealing technologies are Neo4j and MongoDB . The former is a graph database and the latter is a BSON document storage. We would like to provide IPython notebook -based tutorials explaining how to use this software to deal with common cheminformatics p

Natural Product-likeness in ChEMBL

Recently, we included a Natural Product-likeness score for chemical compounds stored in ChEMBL. We made use of an algorithm published by Peter Ertl, Silvio Roggo and Ansgar Schuffenhauer in 2008 .  Whereas the original version of this algorithm used a commercial data set of Natural Product molecules for training the algorithm (the CRC Dictionary of Natural Products) and an in-house library of synthetic molecules as a negative set, we used Greg Landrum's  RDKit implementation  which is based on  ~50,000 natural products collected from various open databases and ~1 million drug-like molecules from ZINC as a "non-Natural Product background". After including the new score into ChEMBL, we were interested to see whether the results look meaningful. We had a handful of simple questions: How is Natural Product-likeness distributed in ChEMBL and how does this compare to Natural Product-likeness for "real" NPs? Can we observe any difference in Natural Product-likeness for

ChEMBL 26 Released

We are pleased to announce the release of ChEMBL_26 This version of the database, prepared on 10/01/2020 contains: 2,425,876 compound records 1,950,765 compounds (of which 1,940,733 have mol files) 15,996,368 activities 1,221,311 assays 13,377 targets 76,076 documents You can query the ChEMBL 26 data online via the ChEMBL Interface and you can also download the data from the ChEMBL FTP site . Please see ChEMBL_26 release notes for full details of all changes in this release. Changes since the last release: * Deposited Data Sets: CO-ADD antimicrobial screening data: Two new data sets have been included from the Community for Open Access Drug Discovery (CO-ADD). These data sets are screening of the NIH NCI Natural Product Set III in the CO-ADD assays (src_id = 40, Document ChEMBL_ID = CHEMBL4296183, DOI = 10.6019/CHEMBL4296183) and screening of the NIH NCI Diversity Set V in the CO-ADD assays (src_id = 40, Document ChEMBL_ID = CHEMBL4296182, DOI = 10.601