• Links to ChEMBL data from Wikipedia


    Everyone's favorite free encyclopedia - wikipedia, has started to get links to ChEMBL added. The links are all sorted out, now we just need a bot to go round and sort everything out for a large set of compounds. So, to give you some idea of how it will look, here are some links to some classics

  • ChEMBL now has a Japanese language Wikipedia page



    ChEMBL（ケンブル) is now on Japanese Wikipedia.


    Note, the page is currently flagged as spam, so hopefully this will change when it is reviewed....

  • ChEMBL Bioactivity Course February 2011 - Registration Open



    Registration for the 2011 residential ChEMBL Training course, running from the 14th to the 18th of Feburary 2011, is now underway, further details can be found at this link.

    What better way to spend Valentine's Day?

  • December 2010 USANs



    The December 2010 USANs have just been published, these are:


    USANResearch code Drug Type Drug ClassTarget
    nivocasanGS-9450, LB-84451small moleculetherapeuticcaspases
    nomegestrolTX-071natural product derivedtherapeuticprogesterone receptor
    vorapaxarSCH-530348natural product derivedtherapeuticthrombin receptor

    This brings the number of USANs assigned this year to ~118.

  • ARMC Vol 45 is out!


    One of the highlights of the year for me is the gentle thud of ARMC (Annual Reviews in Medicinal Chemistry) landing in my pigeon hole at work. This book alone, I consider, justifies my ACS membership dues. Volume 45 is edited by John Macor, and has some excellent chapters, highlights for me were the TLR review, the epigenetic targets, the neglected tropical diseases and the drug attrition chapters. Lots and lots to keep you occupied on your commute (unless you drive).

    %J Annu Rev. Med. Chem.
%V 45
%E J.E. Macor
%I Academic Press
%O ISBN 978-0-12-380902-5
%O ISSN 0065-7743

  • A conference goers bag of drugs?



    I was musing on the drugs I need to take with me while travelling. Here is the first go at a list. This trip, I packed only one item.....

    • DEET (for pesky insects that love your blood even more you do - thanks Dr. Congreve!).
    • Aspirin (for the inevitable headache, fever and as a bonus an anticoagulant for flights, especially in economy seats - one of Nature's true gifts - aspirin that is, not economy class seats).
    • Paracetamol (headache from sporadic/atypical alcohol consumption).
    • Loperamide (disturbed digestive habits, fluid loss).
    • Azithromycin (just in case of serious life threatening infections, often difficult to get abroad, use responsibly - thanks Dr. Schoichet!).
    • Loratidine (anti-histamine, insect bites, bed-bugs, allergies, etc).
    • Diphenhydramine (a sedative anti-histamine for disturbed sleep patterns, or to block out the presence of your annoying fidgety neighbour on the plane).
    • Ranitidine (for inevitable over-indulgence and subsequent disturbed digestion).
    • Neomycin Sulfate, Polymyxin B, Bacitracin Zinc, Pramoxine (for itches, cuts, grazes and other stuff).
    • A quality sunblock (so obvious, it goes without saying).
    Of course, you should use common sense and judgement in such matters, and also take the advice of your personal doctor or physician ;)

  • Update of Chemistry Follow-up on GSK Malaria HTS set



    Here is an update on some follow-on chemistry on the GSK Malaria screening set, provided by the researchers at GSK's Tres Cantos Medicines Development Campus.

    Chemistry in progress

    TCMDC-123822, TCMDC-123823, TCMDC-123824, TCMDC-123827, TCMDC-134513, TCMDC-123579, TCMDC-123582, TCMDC-125454, TCMDC-134141, TCMDC-134142, TCMDC-134143, TCMDC-134692, TCMDC-135254, TCMDC-135271, TCMDC-135426, TCMDC-135461, TCMDC-135462, TCMDC-135463, TCMDC-135554, TCMDC-135654, TCMDC-135655, TCMDC-135656, TCMDC-135657, TCMDC-135677, TCMDC-135687, TCMDC-135789, TCMDC-135796, TCMDC-135816, TCMDC-135911, TCMDC-136013, TCMDC-136014, TCMDC-136015, TCMDC-136016, TCMDC-136051, TCMDC-136060, TCMDC-136134, TCMDC-136185, TCMDC-136188, TCMDC-136303, TCMDC-139046

    Chemistry on hold

    TCMDC-123540, TCMDC-123620, TCMDC-123685, TCMDC-123755, TCMDC-123796, TCMDC-123825, TCMDC-124434, TCMDC-124501, TCMDC-125331, TCMDC-125334, TCMDC-125650, TCMDC-134557, TCMDC-134672, TCMDC-134674, TCMDC-134675, TCMDC-135196, TCMDC-135265, TCMDC-135371, TCMDC-135510, TCMDC-135533, TCMDC-135572, TCMDC-135650, TCMDC-135652, TCMDC-135659, TCMDC-135672, TCMDC-135684, TCMDC-135696, TCMDC-135772, TCMDC-135797, TCMDC-135803, TCMDC-135804, TCMDC-136325, TCMDC-136326, TCMDC-136328, TCMDC-136760, TCMDC-136761, TCMDC-136807

    Chemistry abandoned

    TCMDC-123822, TCMDC-123823, TCMDC-123824, TCMDC-123827, TCMDC-134513

    We'll put this data into the ChEMBL-NTD microsite shortly, but if any other groups have updates on the Malaria screening data disclosures, or various analyses that we could point to, we'd be very happy to hear.

    If you want to link directly to a particular TCMDC number you can use a url of the form...

    https://www.ebi.ac.uk/chemblntd/system_search?qString=TCMDC-136165

  • ChEMBL-mas

    chemlmas logo

    We have a special ChEMBL logo to celebrate the holiday season this year. As you will see, we have firmly declared our position in the Flash, vs HTML5 animation technology debate - it's an animated gif!