Skip to main content

Posts

ChEMBL 31 is out!

By
  We are pleased to announce the release of ChEMBL 31! This version of the database, prepared on 12/07/2022 contains: 2,967,627 compound records 2,331,700 compounds (of which 2,304,875 have mol files) 19,780,369 activities 1,498,681 assays 15,072 targets 85,431 documents New Data Sources MMV Malaria HGL Fraunhofer HDAC6 Updated Data Sources Scientific Literature Patent Bioactivity Data Donated Chemical Probes - SGC Frankfurt EUbOpen Chemogenomic Library Newly Deposited Datasets CHEMBL4888484 - Replenishing the malaria drug discovery pipeline CHEMBL4808148 - HDAC6 screening dataset CHEMBL4879553 - Data for DCP probe BAY1125976 CHEMBL4879554 - Data for DCP probe GNE-2256 Database changes since the last release: No schema changes. Funding acknowledgements Work contributing to ChEMBL31 was funded by the Wellcome Trust,  EMBL Member States, Open Targets, National Institutes of Health (NIH),  EU Innovative Medicines Initiative (IMI)
Post a Comment
Read more
Recent posts

UniChem 2.0

By
UniChem new beta interface and web services We are excited to announce that our UniChem beta site will become the default one on the 11th of May. The new system will allow us to better maintain UniChem and to bring new functionality in a more sustainable way. The current interface and web services will still be reachable for a period of time at https://www.ebi.ac.uk/unichem/legacy . In addition to it, the most popular legacy REST endpoints will also remain implemented in the new web services: https://www.ebi.ac.uk/unichem/api/docs#/Legacy Some downtime is expected during the swap.  What's new? UniChem’s current API and web application is implemented with a framework version that’s not maintained and the cost of updating it surpasses the cost of rebuilding it. In order to improve stability, security, and support the implementation and fast delivery of new features, we have decided to revamp our user-facing systems using the latest version of widely used and maintained frameworks, i
Post a Comment
Read more

ChEMBL 30 released

By Eloy
  We are pleased to announce the release of ChEMBL 30. This version of the database, prepared on 22/02/2022 contains: 2,786,911 compound records 2,157,379 compounds (of which 2,136,187 have mol files) 19,286,751 activities 1,458,215 assays 14,855 targets 84,092 documents Data can be downloaded from the ChEMBL FTP site: https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_30/ Please see ChEMBL_30 release notes for full details of all changes in this release:  https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_30/chembl_30_release_notes.txt New Deposited Datasets EUbOPEN Chemogenomic Library (src_id = 55, ChEMBL Document ID CHEMBL4689842):   The EUbOPEN consortium is an Innovative Medicines Initiative (IMI) funded project to enable and unlock biology in the open. The aims of the project are to assemble an open access chemogenomic library comprising about 5,000 well annotated compounds covering roughly 1,000 different proteins, to synthesize at least
Post a Comment
Read more

Webinar: using an API to access ChEMBL

By
  If you use ChEMBL via the interface and are interested in programmatic approaches then join  our  webinar   on November 10th @ 15:30 to find out more ! In this webinar, we'll provide an overview of the ChEMBL and UniChem APIs and work through some common examples. In the meantime, don’t forget that we have further documentation on our  web services  as well as a recent ChEMBL  webinar, a Blog and series of  FAQs .  Questions? Send us a message through the  Helpdesk .
Post a Comment
Read more

Help us prioritise!

By
Over the years we've added many new features to ChEMBL and some of these have proved to be particularly valuable to our users. However, our resources are finite, and in order to continue to bring you exciting new improvements, we may sometimes need to re-evalutate features that are not well used and/or costly to maintain. To get the clearest possible view of which of our current data types, formats and access mechanisms are most important to you, we've put together a brief survey. If you're using ChEMBL (whether frequently or not), please help us by completing this - it should only take a couple of minutes! https://www.surveymonkey.co.uk/r/DJ5HPF2 The survey is anonymous and will remain open until 31st October. Thanks in advance for your help.
Post a Comment
Read more

Pathogen data in ChEMBL

By
Infectious disease is a leading cause of death globally and bioactivity data against pathogens (fungi, bacteria, viruses, and parasites) is an important category in ChEMBL, especially in light of the ongoing pandemic. In ChEMBL version 29, there are over 2 M bioactivity data points against fungal, bacterial or viral targets (for 460 K compounds) available for pathogen-related research. How can I find pathogen data? On the ChEMBL interface, the organism taxonomy is available as a filter that can be applied to bioactivity data. A sunburst visualisation of the organism taxonomy is also provided as an easy starting point to explore targets according to their taxonomy. In the full database, the organism_classification table holds the underlying data and can be used in bespoke SQL queries. For example, queries may be performed to extract high level pathogen data such as all bioactivity data for small molecules screened against bacterial targets (example below) or more specific subsets focus
Read more

New Drug Warnings Browser

By
As mentioned in the announcement post of  ChEMBL 29 , a new Drug Warnings Browser has been created. This is an updated version of the entity browsers in ChEMBL ( Compounds , Targets , Activities , etc). It contains new features that will be tried out with the Drug Warnings and will be applied to the other entities gradually. The new features of the Drug Warnings Browser are described below. More visible buttons to link to other entities This functionality is already available in the old entity browsers, but the button to use it is not easily recognised. In the new version, the buttons are more visible. By using those buttons, users can see the related activities, compounds, drugs, mechanisms of action and drug indications to the drug warnings selected. The page will take users to the corresponding entity browser with the items related to the ones selected, or to all the items in the dataset if the user didn’t select any. Additionally, the process of creating the join query is no
Post a Comment
Read more