ChEMBL Resources

Resources:
ChEMBL
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SureChEMBL
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ChEMBL-NTD
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ChEMBL-Malaria
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The SARfaris: GPCR, Kinase, ADME
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UniChem
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DrugEBIlity
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ECBD

Wednesday, 17 February 2016

ChEMBL 21 is coming soon...



We are pleased to announce that, after a long wait, the next ChEMBL release is finally on its way. We will be making the data available in the next couple of weeks. However, in the meantime, here is a sneak preview of what has been added (though we've been quiet, we have been busy working on some nice new features):


  • Clinical candidates - we have added data on >900 drug candidates in clinical trials together with their mechanism of action. This initial set focusses on candidates modulating kinase, GPCR and nuclear hormone receptor targets, but we will be adding broader coverage in future releases.
  • Drug indications - we have collated indications for FDA approved drugs from a number of sources and provided these using controlled vocabularies/ontologies (MeSH and EFO).
  • Drug metabolism and PK data - we have extracted information on pharmacokinetics and drug metabolic pathways from Drug Metabolism and Disposition journal, FDA approval packages and a variety of other sources, and will continue to build on this data in future releases.
  • GO drug slim - we have created a Gene Ontology Slim, focussed around those GO biological processes, molecular functions and cellular locations that are enriched in ChEMBL targets. We hope this will provide a streamlined way to browse ChEMBL GO annotations.


There will be a few schema changes (mostly new tables). For those who want to make a start on updating their code, the diagram is below:



More soon... the ChEMBL Team


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