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, 23 July 2014

ChEMBL_19 Released - Now with Crop Protection Data!


We are pleased to announce the release of ChEMBL_19. This version of the database was prepared on 3rd July 2014 and contains:
  • 1,637,862 compound records
  • 1,411,786 compounds (of which 1,404,752 have molfiles)
  • 12,843,338 bioactivities
  • 1,106,285 bioassays
  • 10,579 targets
  • 57,156 abstracted documents
Data can be downloaded from the ChEMBL ftpsite. Please see ChEMBL_19 release notes for full details of the changes in this release.

New crop protection data


We have now expanded the content of ChEMBL to include data relevant to crop protection research. Bioactivity data covering insecticides, fungicides and herbicides were extracted from a number of different journals such as J. Agric. Food. Chem., J. Pesticide Sci., Crop Protection and Pest Manag. Sci. The addition of this dataset to ChEMBL was funded by Syngenta. In total, more than 40K compound records and 245K activities were added in this dataset. These data are included in the 'Scientific Literature' data source and can be retrieved from the ChEMBL interface using the taxonomy browser ('Browse Targets' -> 'Taxonomy') or through assay keyword searches (e.g., 'insecticidal', 'herbicidal').



Other changes since the last release



New neglected disease data sets



ChEMBL_19 includes the following data sets:

  • MMV malaria box Plasmodium falciparum screening data deposited by Eisai
  • MMV malaria box Onchocerca lienalis screening data deposited by Northwick Park Institute for Medical Research
  • MMV malaria box Cryptosporidium parvum screening data deposited by the University of Vermont
  • Trypanosoma cruzi fenarimol series screening data deposited by Drugs for Neglected Diseases Initiative (DNDi)
  • Plasmodium falciparum screening data from the Open Source Malaria project.


Hepatotoxicity data


Hepatotoxicity information for more than 1,200 compounds has been extracted from the following publication, relating to the 14th edition of the Drug hepatotoxicity bibliographic database:

  • Biour M, Ben Salem C, Chazouillères O, Grangé JD, Serfaty L and Poupon R. [Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs]. Gastroenterol. Clin. Biol., 2004, 28(8-9), 720-759.

New journal coverage
We are now pleased to be able to include MedChemComm in our list of journals for routine data extraction. ChEMBL_19 includes 120 articles from this excellent journal, published between 2013 and 2014. We are most grateful to the RSC for access to the source journal material. We will post more on this exciting new partnership in a future blog post!

Interface enhancements


New compound sketcher:
The ligand search now provides ChemAxon's Marvin JS sketcher as default for substructure/similarity searches.

Cochrane Collaboration reviews and British National Formulary (BNF) entries:
For drugs, the compound report card now provides links to any available Cochrane reviews and entries in the British National Formulary.


UniChem cross references:
UniChem now contains two additional sources: NMRShiftDB and the LINCS program. Cross references to these databases (where the compound occurs in the relevant source) are now provided on compound report card pages.

As usual, contact us at chembl-help@ebi.ac.uk for any questions/feedback.

The ChEMBL Team

Wednesday, 9 July 2014

Conference: SLAS 2015 Call for abstracts


The July 28 deadline for podium abstract submissions for SLAS2015 is just a few weeks away. Please consider responding to this call to play an important role in the industry-leading event located at the intersection of science and technology. Abstract submissions from industry, academia and government professionals are welcome.
Submit Your Abstract »

SLAS is currently accepting both podium and poster presentation abstracts for consideration towards the scientific program at SLAS2015. Program tracks include:
  • Assay Development and Screening
  • Automation and High-Throughput Technologies
  • Bioanalytical Techniques
  • Biomarker Development and Applications
  • Drug Target Strategies
  • Informatics
  • Micro/Nano Technologies
Visit the SLAS2015 Web site for detailed track descriptions.
Presenting at SLAS2015 positions both you and your organization as a leader in your field. Serving as a presenter is also sure to expand your professional network and provide you with qualified insights from peers that will improve your research moving forward. If you have expertise in the field scientific automation - or an interesting story or case study to share - please consider this opportunity to contribute to the SLAS2015 scientific program.
The Tony B. Academic Travel Award
SLAS is proud to once again offer the Tony B. Academic Travel Award to facilitate the attendance of students and emerging academic professionals to present their scientific work at SLAS2015. Award recipients receive airfare or mileage reimbursement, conference registration and shared accommodations at SLAS2015. Undergraduate and graduate students, postdoctoral associates, and junior faculty are encouraged to apply. Click here for complete details on the Tony B. Academic Travel Award.
The SLAS Innovation Award
All presenters selected to deliver podium presentations can nominate themselves to be considered for the 2015 SLAS Innovation Award. The final round of judging for this award will take place at SLAS2015 in Washington, DC. This prestigious award carries with it a $10,000 cash prize to recognize the top-rated podium presentation, among all those nominated, delivered at the SLAS Annual Conference.Click here for complete details on the SLAS Innovation Award.

Questions? Contact Amy McGorry of SLAS Headquarters by e-mail or by calling 1.​630​.256​.7527​ ext.​ 101.