The ChEMBL-og

I am delighted to announce that registration is open for the 2nd ChEMBL User Group Meeting , which is dedicated to building and supporting the ChEMBL and SureChEMBL user communities. The last meeting took place in 2011, so it feels like it might be time for a second :-). The UGM will take place on 10-11 June here on the Wellcome Genome Campus, Hinxton, near Cambridge, UK. It is a two-day event, with participant numbers limited for Day 2. Day 1 (Hybrid, in-person recommended): Talks, discussions, and networking, followed by an evening reception with drinks. Lunch will be provided. Day 2 (In-person only): A chance to influence the future development of ChEMBL and SureChEMBL. Deeper community sessions together with the ChEMBL and SureChEMBL teams, discussion of collaboration opportunities. As a community event, we encourage poster and oral presentations from community members on any topic related to the use of ChEMBL or SureChEMBL. Please indicate when registering if you would like...

Over the years, ChEMBL has accepted 336 datasets deposited by the community. In fact, these data now comprise around 50% of the bioactivity data points. This is in addition to ChEMBL’s core data, bioactivity data extracted from the medicinal chemistry literature, and drug and clinical candidate data curated from regulatory authorities and clinical trials. However, ChEMBL - like many other open access databases - is currently facing a reduction in funding. While we remain committed to maintaining the core of ChEMBL’s literature-extracted bioactivity data as well as drug data annotations, these constraints mean that in the future we may not be able to accept data depositions unless they are accompanied by appropriate funding. This applies particularly to those that require extensive curation or substantial manual intervention (*). Any depositions that have been agreed or are already in progress will be handled as planned. Beyond this, we will continue to prioritise depositions that a...

  photo by B. Zdrazil, Wellcome Genome Campus in morning glory, Dec. 2025 The Chemical Biology Services Team is looking back at a year full of changes, new beginnings, and the farewell of a few long-standing team members. In February, we welcomed our new Team Leader Noel O'Boyle . He brought fresh perspectives and new energy to the team, but he also had to see several team members leave as they reached the end of their contracts. We are grateful for all the contributions that Eloy Felix, Fiona Hunter, David Mendez, Juan Mosquera, A. Lina Heinzke, Cote Falguera, Melanie Schneider, and Sybilla Corbett have made to our great resources: ChEMBL, SureChEMBL, ChEBI & UniChem.  2025 has been a very productive year! OPSIN found a new home under the EBI umbrella, ChEMBL 36 - the largest data release for ChEMBL ever - was released in autumn, ChEBI 2.0 was launched and its restructuring has been published in a recent NAR article . The team also made some great advances to push ...

ChEMBL is a bioactivity database for drug-like compounds. The ACTIVITIES table stores the readout from bioassays that test compounds against a biological target. These are often numerical readouts such as Ki, IC50, Inhibition %, or Cmax but are occasionally non-numerical summary data, e.g., “Not Soluble”, “Not active”, or “Active”. Historically, the non-numerical data was captured as an ACTIVITY_COMMENT but since ChEMBL 24 this has been more accurately captured as TEXT_VALUE.  Whilst the TEXT_VALUE field has been used more extensively in recent releases, legacy data covering experimental outcomes, observations, context such as threshold values, and other metadata is still largely hosted in the ACTIVITY_COMMENT field. Moving forward, only the TEXT_VALUE field will be used to report the primary outcome of an experiment where the output is not numerical, for example categorical data.  This could be reporting an Activity (e.g., “Active”/ “ Not active”), Toxicity (e.g., “Toxic”/ “ ...

Since ChEMBL 20, molecules in ChEMBL that are known pesticides have been linked to the mechanism of action classification assigned by the Fungicide Resistance Action Committee (FRAC: http://www.frac.info), Herbicide Resistance Action Committee (HRAC: http://www.hracglobal.com) or Insecticide Resistance Action Committee (IRAC: http://www.irac-online.org). These Committees provide information on the mechanism of action of key pesticides as part of ongoing efforts to combat pesticide resistant fungi, plants, and insects, and to prolong the use of existing pesticides. Supplementing ChEMBL with curated pesticide data from key organisations complements the wealth of compounds within ChEMBL explored for applications in human health, supporting a move towards a OneHealth approach. These classification schemes group pesticides both by their mode of action and chemical class. From ChEMBL 20 to ChEMBL 35 classifications were stored within ChEMBL in three tables, with three associated mapping tabl...

As part of a funded collaboration with Open Targets, there are two open positions as part of a team to develop a drug side effect resource: We are looking for two enthusiastic and talented NLP data scientists, cheminformaticians or bioinformaticians with experience in NLP and knowledge extraction to join the Open Targets Safety 2.0 project for a period of 3 years. You should enjoy delving into ways of addressing challenges in knowledge extraction and data standardisation, and want to contribute to open source code and resources.  The project will develop a new side effect resource for drug discovery based on the extraction of side effect data from a range of documents. Your role will focus on developing data extraction pipelines using NLP models and implementing modern NLP methods and technologies suitable to the extraction of safety data. The position provides a real opportunity to make a significant impact on a critical problem in drug discovery for the many users of the Open Ta...