The ChEMBL-og

One of our  bff's are the guys and gals at the SGC in Oxford, they have recently got a grant to establish a University-wide Chemical Biology Platform, and are now looking for a Project Manager for this effort. Here are details of the job....

The diXa project is looking to recruit a someone to provide part-time maternity cover for the Scientific Training & Dissemination Officer in the Industry Support team which is based at the European Bioinformatics Institute (EMBL-EBI) located in Hinxton, near Cambridge in the UK. The diXa project is dedicated to developing and implementing a robust and sustainable service infrastructure for data from EU-funded research into non-animal tests for predicting chemical safety ( http://www.diXa-fp7.eu/ ). EMBL-EBI is a partner in the diXa project with a number of responsibilities. The overall objectives for the position will be to deliver a core set of project-related training and dissemination services to the Toxicogenomics Research Community and to help foster effective use of resources provided through the project working with colleagues at EMBL-EBI and the other partner sites. The successful candidate will also liaise with other groups involved in training and ...

ATC code : L01XE13 Wikipedia : Afatinib On July 12th 2013 the FDA approved Gilotrif TM (USAN afatinib) for the first-line treatment of patients with metastatic non-small cell lung cancer (NSCLC) carrying EGFR exon 19 deletions or exon 21 (L858R) mutation. It is a covalent, irreversible inhibitor of EGFR, ERBB2 and ERBB3. Non small cell lung cancer (NCLS) ( CRUK NCLS ; PDQ NCLS ) accounts for 78% of lung cancer incidences in the UK and is typically resistant to chemotherapy. In clinical studies, afatinib increased the mean Progression Free Survival to 11.1 months from 6.9 months (compared to standard of care Pemetrexed/Cisplatin). Furthermore, response to treatment was observed in tumors harboring several EGFR mutant species although the duration of response varied from 6.9 months to 16.5 months depending on the mutation . Afatinib covalently binds to the kinase domains of EGFR (ErbB1, Uniprot: P00533 ; canSAR: EGFR ”), HER2 (ErbB2, Uniprot: P04626 ;...

The USANs for July 2013 have recently been published. USAN Research Code InChIKey (Parent) Drug Class Therapeutic class Target formofilcon B n/a contact lens polymer polymer  n/a futuximab 992DS, Sym004 n/a therapeutic monoclonal antibody EGFR muparfostat , muparfostat sodium PI-88 n/a therapeutic oligosaccharide VEGF, FGF-1, FGF-2 omafilcon B n/a contact lens polymer polymer n/a stenfilcon A n/a contact lens polymer polymer n/a

ATC code: L01XE15 Wikipedia: Trametinib ChEMBL2103875 On May 29th 2013, the FDA approved trametinib (Mekinist®) for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E or V600K mutations, and who have not received prior BRAF inhibitor treatment. Trametinib inhibits mutant BRAF signalling through the inhibition of a downstream kinase, MEK. In clinical trials trametinib improved the progression-free survival (PFS) from 1.5 months on standard of care chemotherapy to 4.8 months on trametinib. Trametinib is the first approved targeted MEK inhibitor. It inhibits the kinase catalytic activity of its targets, mitogen-activated extracellular signal regulated kinase 1 and 2 ( MAP2K1 AKA MEK1, Uniprot: Q02750 ) and MAP2K2 AKA MEK2, Uniprot: P36507 ). The sequences of the targets are here: >sp|Q02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 OS=Homo sapiens GN=MAP2K1 PE=1 SV=2 MPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLEE...

Historically, one of the key problems in neglected disease drug discovery has been identifying new and interesting chemotypes. Phenotypic screening of the malaria parasite, Plasmodium falciparum has yielded almost 30,000 submicromolar hits in recent years. To make this collection more accessible, a collection of 400 chemotypes has been assembled, termed the Malaria Box. Half of these compounds were selected based on their drug-like properties and the others as molecular probes. These can now be requested as a pharmacological test set by malaria biologists, but importantly by groups working on related parasites, as part of a program to make both data and compounds readily available. In this paper, the analysis and selection methodology and characteristics of the compounds are described. Data from studies involving the Malaria Box will be in ChEMBL and the ChEMBL Malaria portal. %A T. Spangenberg %A J.N. Burrows %A P. Kowalczyk %A S. McDonald %A TNC Wells %D 2013 %T The Open Ac...

ATC code: L01XE15 Wikipedia: Dabrafenib On May 29th 2013 the FDA approved dabrafenib mesylate (trade name: Tafinlar®, research codes GSK-2118436A and GSK-2118436B) for the treatment of patients with unresectable metastatic melanoma harbouring the BRAF V600E mutation. In clinical trials, dabrafenib showed improved progression-free survival (PFS) over the comparator dacarbazine (median PFS 5.1 months for dabrafenib compared to 2.7 months for dacarbazine). Moreover, in a multicentre open-label Phase II trial dabrafenib showed effectiveness on brain metastases of melanoma regardless of whether the patients had been previously treated. As with the previously approved BRAF inhibitor, vemurafenib, the major side effect of dabrafenib is the emergence of malignant cutaneous squamous cell carcinomas and keratoacanthomas. The main molecular target for dabrafenib is the human mutant serine/threonine kinase, BRAF (Uniprot for wild type protein: P15056 ). ...