The ChEMBL-og

Come and join us - we are recruiting for a Chemical Biology Team Leader! This is an exciting opportunity to lead the  Chemical Biology resources, based at the Wellcome Genome Campus in Hinxton near Cambridge, UK.  The chemical biology team   at EMBL-EBI delivers world-leading databases and resources to the scientific community. Our flagship resource, ChEMBL ,  is a database of high-quality quantitative small-molecule bioactivity data curated from the scientific literature and direct data depositions. SureChEMBL   is a complementary patent resource containing chemical structures and biology/drug discovery annotations extracted daily from patents. UniChem   links chemical structures across databases.  ChEBI is a database of small molecules relevant to biology. Closing Date: 19th July 2024 More details here

  In 2024 we celebrate the 15th anniversary of the first public release of the ChEMBL database as well as the 10th anniversary of SureChEMBL. To recognise this important landmark we are organising a two-day symposium to celebrate the work achieved by ChEMBL and SureChEMBL, and look forward to its future.   Save the date for the ChEMBL 15 Year Symposium October 1-2, 2024     Day one will consist of four workshops, a basic ChEMBL drug design workshop; an advanced ChEMBL workshop (EUbOPEN community workshop); a ChEMBL data deposition workshop; and a SureChEMBL workshop. Day two will consist of a series of talks from invited speakers, a few poster flash talks, a local nature walk, as well as celebratory cake. During the breaks, the poster session will be a great opportunity to catch up with other users and collaborators of the ChEMBL resources and chat to colleagues, co-workers and others to find out more about how the database is being used. Lunch and refre...

We are delighted to announce the release of ChEMBL 34, which includes a full update to drug and clinical candidate drug data. This version of the database, prepared on 28/03/2024 contains:         2,431,025 compounds (of which 2,409,270 have mol files)         3,106,257 compound records (non-unique compounds)         20,772,701 activities         1,644,390 assays         15,598 targets         89,892 documents Data can be downloaded from the ChEMBL FTP site:  https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_34/ Please see ChEMBL_34 release notes for full details of all changes in this release:  https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_34/chembl_34_release_notes.txt New Data Sources European Medicines Agency (src_id = 66): European Medicines Agency's data correspond to EMA drugs prior to 20 January 2023 (excluding ...

If you have a question about the data in ChEMBL you might consider visiting our FAQ page!  We have recently expanded and updated the FAQs; we have included more intuitive categories, mirroring the organisation of our data.  Enquiries are now sorted into general, assay and activity, drug and compound, target, document and data source, interface, download, and schema questions. We have added new answers, including to the questions: How are [protein] isoforms treated by ChEMBL? What are the parameters for the [structure] similarity search? Can you provide more details on ChEMBL releases? Does ChEMBL contain agrochemical data? Our FAQs are searchable, making it easy to navigate to your area of interest.  You can also find help with programmatic access to the database , and a guide to our web interface .   If you want to keep up to date with ChEMBL news and data releases you can subscribe to the Chembl-announce mailing list.   For any questions not answered by...

  (Generated with DALL-E 3 ∙ 11 Janvier 2024 at 11:50 am)   Happy New Year everyone! You already know that we have been working extensively in the last few years to offer a new version of SureChEMBL that can deliver a better user experience. If you did not have the opportunity yet, you can still test the new UI and underlying system . Obviously it is still a beta version but new improvements are deployed weekly and 2024 should be exciting. As said at the announcement, one of the advantages of the new SureChEMBL is that we can finally develop new functionalities! We have a long list in our backlog but not enough time and resources to deliver them all immediately. This is why we would like to offer the SureChEMBL community a say on what we should implemented first. So please have a look at our survey . We gathered ideas that emerged over the last few years and you will be able to vote for what you think we should prioritise. You can also share your own idea if you wish. It shou...

2023 has been a productive year for the ChEMBL team, with two separate releases of ChEMBL, an overhaul of the ChEBI data schema, and the release of the new SureChEMBL . We introduced some new features in ChEMBL, including a flag for Natural Products and Chemical Probes and updated our Natural Product-likeness score . Drug data in ChEMBL and drug warning information has been updated for ChEMBL 32. You can find more detailed information in our 2023 NAR update paper . Another focus this year was the improvement of documentation and processes to make data depostion for ChEMBL easier. The curation of data on assay parameters is a constannt endeavour in the team and has recently been described in two separate blog posts: one on the " AIDX " and another one on the perfect assay description . We have also been active by developing our own Nature Trail event on Campus highlighting some of the bioactive compounds from the flora and fauna found on-site and elsewhere. Now it is t...

Credit: Science biotech, CC BY-SA 4.0 Assays des cribe the experimental set-up when testing the activity of drug-like compounds against biological targets; they provide useful context for researchers interested in drug-target relationships. Ver sion 33 of ChEMBL contains 1.6 million diverse assays spanning ADMET, physicochemical, binding, functional and toxicity experiments. A set of well-defined and structured assay descriptions would be valuable for the drug discovery community, particularly for text mining and NLP projects. These would also support ChEMBL's ongoing efforts towards an  in vitro  assay classification. This Blog post will consider the features of the 'perfect' assay description and provide a guide for depositors on the submission of high quality data. ChEMBL's assays are typically structured with the overall aim, target, and method .  The ideal assay description is succinct but contains all the necessary information for easy interpretation by database u...