The ChEMBL-og

Congratulations to the SGC and their benevolent funders on the milestone release of their 1,000th structure 2XML . More details are available on the press release .

We are anticipating engaging two/three contractors to work on a number of very exciting collaborative projects which will significantly augment the content and scope of the ChEMBL data. The work will be located at our facilities here at the Wellcome Trust Genome Campus (you will need to have existing right of residence and right to seek employment within the United Kingdom for these contractor positions), and we hope to start work before the winter holiday season. These offer the chance to work within a friendly, Open Access/Open Data team committed to developing novel and innovative precompetitive solutions for private and public sector drug discovery. We are looking for creative developers/scientists with existing skills covering significant elements of the following - perl/python, Linux, handling of biological and chemical structural data, ChEMBL, Matlab / Octave / R, MySQL / Oracle / SQL / PL/SQL, GO, MESH, blast, MVC development techniques, UniProt, Pfam, PDBe, Ensembl, Sti...

Literally. It would be good to try and collect sites that have integrated, mirrored, processed, or derived online tools from the ChEMBL bioactivity data - we'll maintain a list of these on our website . Please mail us the url of any sites you know of, or if you would like listed?

We are pleased to announce the release of GPCR SARfari . GPCR SARfari is a web based workbench focused on Class A G Protein-Coupled Receptors (Rhodopsin-like). The system currently contains: 912 protein sequences 546,467 bioactivity data points 118,834 compounds The bioactivty and compound data stored in GPCR SARfari has been taken from the latest release of the ChEMBL database. You can query this data directly via the interface, or download it from the links provided on this page . We have been collecting the protein structures of rhodopsin-like GPCRs and plan to add a structural component to GPCR SARfari. There will be a blog announcement providing more detail about this soon. The system is very similar to Kinase SARfari , so if you are familiar with the kinase version, you should have no problems navigating around GPCR SARfari. If there is enough interest we will also be happy to set up a webinar describing how to use both systems, please mail us in this is something ...

A few months ago, Cele Abad-Zapatero visited our lab here at the EMBL-EBI, he touched all our lives in many ways and was a pleasure to have around. The sort of lab visitor anyone would welcome! Anyway, while here, we worked together on Cele's long-standing idea of an 'atlas' representation of target-chemical space, and a variety of descriptors will be incorporated into the ChEMBL database over the next few releases, both for visualisation, and also to enable data mining. %J Drug Discovery Today %T Efficiency Indices for an Effective Mapping of Chemico-biological Space: The Concept of an Atlas-like Representation %D 2010 %V 15 %P 804-811 %A Abad-Zapatero C. %A Perišić O. %A Wass J. %A Bento A.P. %A Overington J. %A Al-Lazikani B. %A Johnson M.E.

Would you consider completing the European Bioinformatics Institute (EBI) Survey at:  http://www.surveymonkey.com/s/EMBL-EBI It should take 10-15 minutes. There are no compulsory questions. You can be entered into a prize draw where you could win an iPad . This survey is collecting input from users and potential users of the EBI services.  We really value this input for development of our services, and want as many responses as possible.  We apologise if, in our enthusiasm, we have contacted you multiple times.  Please ignore the multiple contacts and forgive us! Otherwise, please visit  http://www.surveymonkey.com/s/EMBL-EBI  and complete the questions relevant to you. We will be collecting data until the end of September. Thank you for your help. (The picture is from the eponymous beta site).

Kinase SARfari compound and bioactivity data has been updated using the latest release from the ChEMBL database. The compound count has increased from 28,223 to 33,559 and the bioactivity count increased from 146,865 to 212,735.