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

Thursday, 9 June 2011

ChEMBL 10 Released

We are pleased to announce the release of ChEMBL_10. This latest version of the ChEMBL database contains:
  • 1,118,566 compound records
  • 1,000,468 distinct compounds
  • 534,391 assays
  • 4,668,202 bioactivities
  • 8,372 targets
  • 40,624 documents
  • 6 data sources
This release of the ChEMBL database contains a subset of the data from the PubChem BioAssay database. Specifically, we have included dose-response endpoints (e.g., IC50, Ki, Potency) from confirmatory assays in PubChem - the aim of this is to integrate data that is comparable to the type and class of data contained within ChEMBL. This subset contains:
  • 333,864 compound records (PubChem Substance entries)
  • 794 assays (PubChem BioAssay assays)
  • 1,473,189 bioactivities (IC50 etc. measurements)
You can access the data via the ChEMBL database interface: http://www.ebi.ac.uk/chembldb/index.php.

Changes to the interface include:
  • 'Activity Source Filter' link has been added to the main search bar to allow users to include/exclude activity sources (e.g. PubChem BioAssay, Literature, ...) in the current working session
You can download the data from the ChEMBL ftpsite: ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/

 All other ChEMBL resources (e.g. Web Services) are also now connected to ChEMBL_10.
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