The ChEMBL-og

    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.  -------------- **REGISTRATION TO ATTEND IN PERSON IS NOW CLOSED** Join the   waiting list   to be notified if a place becomes available, or register virtually to join the meeting online.   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...

ChEMBL contains information on drugs that have been approved for treatment of a specific disease / diagnosis (an indication) within a region of the world (e.g. FDA drugs are approved for use in the United States), and clinical candidate drugs that are being investigated for an indication during the clinical trials process.  The maximum phase of development for the compound across all indications is assigned a category called 'max_phase' (the value in brackets is used in the downloadable ChEMBL database in the 'molecule_dictionary' table): Approved (4): A marketed drug e.g. AMINOPHYLLINE ( CHEMBL1370561 ) is an FDA approved drug for treatment of asthma.  Phase 3 (3): A clinical candidate drug in Phase 3 Clinical Trials e.g. TEGOPRAZAN ( CHEMBL4297583 ) is under clinical investigation for treatment of peptic ulcer at Phase 3, and also liver disease at Phase 1.  Phase 2 (2): A clinical candidate drug in Phase 2 Clinical Trials e.g. NEVANIMIBE HYDROCHLORIDE ( CHEMBL542103 )...

  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 * CHE...

 The ChEMBL Team heads off soon on their Christmas holidays! Before we leave, we would like to remember  some highlights of 2022 and share some outlook for the next year! 2022 was an extraordinary year for the UK and also for the ChEMBL Team! It was a year of celebrations, farewells, and new beginnings....   The ChEMBL team underwent major personnel changes in 2022 , with Anna and Patricia leaving the team, and Barbara, Eloy and Fiona taking on new roles within the ChEMBL leadership team. 2022 was a year of extremes as well. The UK recorded >40C in July and -6C in the past few days in December.  During the hot summer months the ChEMBL Team went on a punting excursion on the River Cam. In 2022, the ChEMBL Team delivered lots of training and outreach activities including a "Wetland Nature Trail" on Campus organised by Emma and James. We also participated in the "School of Chemoinformatics in Latin America", where the ChEMBL web-interface and API were explained ...

Recently, the ChEMBL team participated in the " School of Chemoinformatics in Latin America " which was kindly organized by José Medina-Franco and Karina Martinez-Mayorga (both at the National Autonomous University of Mexico). The event was very well attended with 1,181 registrants from 79 different countries. 57% of the participants attended from Latin America, 23% from Asia, and around 8% from Africa and Europe, respectively. 52% of the participants were students (undergraduate and graduate students). Distribution by country Distribution by role Participants could learn a bou t the ChEMBL database and UniChem. We covered different topics to answer these questions: • What is ChEMBL and how is it structured ? • Which data does ChEMBL contain ? • How is data extracted from scientic articles ? • How is the data in ChEMBL curated ? • How is drug ...