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, 7 February 2011

ChEMBL_09 released


We are pleased to announce the release of ChEMBL_09 and a new version of the ChEMBL web interface. This release of the ChEMBL database contains initial entries for small molecule and biotherapeutic drugs, together with product information from the FDA Orange Book. This data will be subject to further updates and curation in subsequent releases and therefore some property assignments should be considered preliminary. It should also be noted that a number of the approved products do not have therapeutic uses (e.g., diagnostic agents, additives etc.). These non-therapeutics are currently included in the database, but are flagged as such. We have also now incorporated the chemical structures of ligands from entries in PDBe (Protein Data Bank in Europe) into to ChEMBL.

Use of ChEBI IDs: ChEMBL will continue to assign ChEBI identifiers to small molecules with known structures, and these compounds will be indexed by ChEBI for search purposes. However, only a subset of highly curated entries will be displayed on the ChEBI web-interface or provided in their downloads. ChEMBL compounds are also now deposited directly into PubChem.


Schema Changes: There are significant schema changes this release, to allow the incorporation of the approved drug data. Please see release notes for more details.

  Interface Enhancements:
  1. 'Browse Drugs' tab, which allows users to view, search and download the drug data stored in ChEMBL database (https://www.ebi.ac.uk/chembldb/index.php/drugstore)
  2. A new Document report card page has been created, which summaries target, activity, compound and assay data found in a ChEMBL journal article. All previous links to PUBMED now go to this page (e.g. https://www.ebi.ac.uk/chembldb/index.php/doc/inspect/CHEMBL1153406)
  3. Only parent compound structures are returned in the compound searches
  4. Bioactivity results display both parent and salt/ingredient structures
  5. Compound report cards updated to include a Clinical Trials and Molecular Forms sections (e.g. https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL941)
  6. A choose of 3 compound sketchers (JME, Marvin, JDraw) are now available on compound search page
  7. Japanese translation of home page

2 comments:

Egon Willighagen said...

Will there be a BioTorrent download again?

jpo said...

The number of downloads using BioTorrent was very low compared to the anonymous ftp route. However, we'll review this and see how it goes again.