The ChEMBL-og

ATC code (partial): N05AE On October 28th 2010, the FDA approved Lurasidone (Tradename:Latuda) (Lurasidone is also known by the research code SM-13,496). Lurasidone is an atypical antipsychotic agent indicated for the treatment schizophrenia. Lurasidone displays broad polypharmacology against a wide range of rhodopsin-like aminergic GPCRs, acting as an antagonist with high affinity at dopamine D2 receptors (Uniprot: P14416 , ChEMBL: 72 ) (Ki of 1 nM), serotonin 5-HT2A (Uniprot: P28223 , ChEMBL: 107 ) (Ki of 0.47 nM) and 5-HT7 receptors (Uniprot: P34969 , ChEMBL: 10209 ) (Ki of 0.49 nM), and with moderate affinity at alpha-2C adrenergic receptors (Uniprot: P18825 , ChEMBL: 218 ) (Ki of 10.8 nM) and at alpha-2A adrenergic receptors (Uniprot: P08913 , ChEMBL: 52 ) (Ki of 40.7 nM). Lurasidone acts also as a partial agonist at serotonin 5-HT1A receptors (Uniprot: P08908 , ChEMBL: 51 ) (Ki of 6.4 nM) and exhibits little or no affinity for histamine H1 (Uniprot: P35367 , ChEMBL: 127 ) ...

Some of the ChEMBL team are in Tokyo, Japan for the week of 14th to 18th March 2011. We are there for some training with a valued collaborator. We have some spaces in our schedule so we could visit and talk if there is interest. We have a native Japanese speaker in our group, and so we can present in both Japanese and English. If you would like us to visit you please mail . ChEMBLチームは、2011年3月14日の週に、日本の東京を訪問します。日本にいる素晴らしい協力者と直接お会いし、トレーニングコースを行う予定です。今のところ、まだスケジュールに余裕がありますので、ChEMBLにご興味がある方々をいくつか訪問したいと思っています。ChEMBLチームには、日本人メンバーがいますので、日本語と英語の両方でプレゼンテーションを行うことができます。ご興味がありましたら、是非こちらまでメール( kaz@ebi.ac.uk )をお送りください。よろしくお願いいたします。

ATC Code: B01AE07 Dabigatran etexilate has been approved by the FDA on October 19th 2010. Dabigatran etexilate (also known as BIBR-1048 for Dabigatran etexilate and BIBR-953 for Dabigatran) is approved for the treatment of patients with atrial fibrillation at risk of embolism or stroke. Dabigatran etexilate is a first-in-class (for the US) oral drug preventing blood clotting and stroke by direct inhibition of thrombin and is marketed under the trade name Pradaxa in Europe and the US, and Pradax in certain other territories. In Europe, an earlier oral direct thrombin inhibitor Xemelagatran  (trademark:Exanta trademark:Exarta also known as H376/95) was approved, but subsequently was withdrawn due to commercial and perceived safety issues. The formation of blood clots in the circulation can cause embolism or stroke (or CVA) if other risk factors are present.  Depending on the number of risk factors, the risk of suffering a stroke increases up to 7-fold in patients with atr...

As mentioned in a previous post , we now have some immediately available positions within our team for some short-term contractors (6 months to 1 year). These are for two collaborative (and very exciting) industry projects, and require good bioinformatics knowledge, programming in perl (or equivalent) knowledge of SQL, and database querying and integration. Previous experience in either target assessment, or computational studies of ADMET processes would be greatly beneficial (see below). One position will be to work on 'druggability' calculations, the second will be connected with comparative genomics of ADMET systems - building a prototype ADMET SARfari (see the SARfari tags on the ChEMBL-og for more details on SARfari). Positions are full time and require a pre-existing right of residence and also pre-existing right to work within the United Kingdom. Pay and general conditions are subject to negotiation. Work will be based at our Hinxton campus site. More details are avai...

We will soon post on the EMBL recruitment pages , details of a new post within ChEMBL - a database developer for a very exciting pan-European collaboration called EU-OPENSCREEN. EU-OPENSCREEN is one of a set of large-scale Research Infrastructure projects called ' ESFRI s', and EU-OPENSCREEN is connected with establishing an infrastructure of screening centers, compound collections and associated 'Open' Chemical Biology Data. EU-OPENSCREEN has recently started, and is in the so-called 'Preparatory Phase'. The job will require someone with good technical informatics and scientific skills connected with database design and integration, biological screening, bioinformatics and chemoinformatics, data security, and will require travel to European and U.S. collaborator labs.  An associated EU-OPENSCREEN post within the Steinbeck group  at the EBI, on Data Standards, Ontologies, etc. , will also be announced shortly. When the position is live on the EMBL recruitme...

We regularly offer internships within the ChEMBL group, these are typically for between three and six months. We receive about five to ten applications per week, so only a small fraction of applications are successful. We try and match these against project ideas we have, available space, and our limited budget. Here is some advice for those wishing to apply. Please note - working as an intern at any EMBL lab may negatively affect applications for study as a PhD student at EMBL - please check the regulations carefully if you plan to apply for a PhD. Please try and be accurate about the group you are applying to, we understand that you are probably looking at many opportunities, but if you mention a completely different scientific area, PI name, or have a very vague and general application, we will be unable to consider your application further. Attach a current and accurate cv (please do not feel under pressure to limit this to two pages) with your initial application. Be accurat...

Here at ChEMBL , we are often contacted by users who are interested in purchasing some of the compounds that we store in our databases. However, our compounds are curated directly from the literature and we do not have access to physical samples. To enable our users to find supplier information for the compounds, we have now added direct links from ChEMBL  to ChemSpider . ChemSpider is a resource containing millions of chemical structures, with associated property information. This property information also includes supplier information, where available. You can connect to ChemSpider via our Compound Report Card , under "Database Links" and by clicking on the Standard InchiKey hyperlink you will be taken directly to the same compound in ChemSpider . You can also connect directly to ChEMBLdb via ChemSpi der using the hyperlink found under their "Biological Data" tab.