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

Monday, 22 February 2016

Forthcoming Conferences



There are a number of Conferences and meetings coming up in the next few weeks that might be of interest:


Firstly, it's not too late to register for the KNIME Spring Summit in Berlin 24th -26th February
More details here



The next SME Forum will be held on the Wellcome Genome Campus at Hinxton near Cambridge on 7th and 8th March.  Come and find out more about EMBL-EBI's  freely available data resources including ChEMBL and SureChEMBL. More details on the meeting and registration here



UKQSAR and Physchem Forum Joint Symposium
This is a two day meeting being held on 15th to 16th March at Stevenage in the UK.  There are a limited number of places still available and you must register (by 29th Feb) if you want to attend.  More details can be found here.
  


Last but not least consider going to the Spring ACS meeting in San Diego 13th to 17th March where there will be a couple of ChEMBL talks and if anyone would like to catch up with us please get in touch.  More details about the meeting here.

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