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We are pleased to announce the release of ChEMBL_11. This latest version of the ChEMBL database contains:1,195,368 compound records1,060,258 distinct compounds 582,982 assays5,479,146 activities8,603 targets42,516 documents7 activity data sources You can download the data from the ChEMBL ftpsite: ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/

Changes to the data and database include:The loading of the quantitative activity data from the Guide to Receptors and Channels (4th Edition)Updating of the organism classification informationThe ChEMBL identifiers for all previous compounds/assays/documents/targets within the database, including those that have been removed/downgraded are now maintained within the chembl_id_lookup tableFor a full and more detailed list of changes to the data and database please refer to the release notes.

Changes to the interface include:The ChEMBL widgets have been updated. The example widget below displays the molecular weight distribution of compounds that bind to human ABL1. (Note, the widget will now load external JavaScript dependencies, so you can easily add it to blog posts like this and target based widgets now accept UniProt accessions)

Further details about the widgets can be found here https://www.ebi.ac.uk/chembl/widget An InChI key resolving URL has been set up, e.g. https://www.ebi.ac.uk/chembl/compound/inchikey/NXQMNKUGGYNLBY-UHFFFAOYSA-NYou can now search for a list of target ChEMBL identifiers on the target search page, https://www.ebi.ac.uk/chembl/target

Posts linking to this one

Since I got quite few positive remarks & comments (thank you) about the visualization of the ChEMBL 09 database schema, here is a new version showing the ChEMBL 11 schema. The schema has been created the same way as in the previous post. So, feel free...
I reported earlier how to I uploaded the ChemPedia (RIP) data onto Kasabi. But for ChEMBL-RDF I have used the pytassium tool, not just because it has a cool name :) I discovered yesterday, however, that I did not write down in this lab notebook, what steps...