Update: 02 Nov 2016.  The good news for BACE1 inhibitors in general and Merck in particular is that the Phase II trial results just published for verubecestat look encouraging. Note also what could be a double stroke of good fortune if this tweet is substantiated.

Update : July 2016.  This series is now discontinued in favour of the rather more serious  PUSOM. However, I'm sure I will be able to show a few ACIDOT-like CIDs as I proceed down the source ranking.

Announcement:  we are interested in your recent  protease papers (see end of this post) It is my good fortune, along with a colleague, to have been invited to coauthor a review on proteases and a/b hydrolases.

Update: 15 Oct 2019 Intrigued to see the chessbordane below from a recently tweeted presentation.on "Data Curation for AI" that includes an impressive collection of quirks and a citation for CID 25415348 on slide 14. This blog was also cited in a NextMove poster from 2016. This gives some background on the origin of the CDX table images > molefiles that SCIPDB and others inadvertently pushed into PubChem.

Update : 8th July.  Another relevant paper has just appeared from the APD team (GtoPdb collaborators via NC-IUPHAR) "Apelin,Elabela/Toddler,and biased agonists as novel therapeutic agents in the cardiovascular system" (PMID 26143239).  This has a useful diagram of the relevant peptide structures (below). One obvious thing is try to detect homology.

This week's issue of Cell includes a detailed wrap-up review on the NIH  Molecular Libraries Initiative " Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes " (PMID 26046436).  As a tour de force this includes supplementary tables displaying nearly 90 structures (page 1 below). As ever, the fly in the ointment is the absence of links and/or explicit designations of the

Updates: 19 May 2015:  CAS still holding a slight lead over UniChem at 97:90 million.  Note the latter includes 1,349,300  obsoletes (from source "churning")  but is probably now ahead on real cyclic organics  (see discussion below). 04 April 2015:  Good to see we are now not only OA "street legal"  but also F1000 recomended.

The antimalarial efforts centered around the Sydney OSM team continue to progress. Since they appreciate support with database analysis (as part of the model) I have  previously looked at the triazolopyrazines, earlier series and also suggested compounds for the new Pathogen Box.

This post has been migrated to http://blog.guidetopharmacology.org/2014/11/20/proteases-in-the-new-gtopdb-release/

While working on the previous post for Opening up the open innovation AZDs  I began to consider the extent to which other companies have already surfaced development compounds for repurposing (REPU), with seven companies expected to release another list for the UK MRC at the end of the year,  as well as the enthusiasm indicated by NCATS in the US. This inspired a conjecture I could test.

Update : the resolved structure mappings below have been loaded into the latest release of GtoPdb. They can be retrieved with the query AZD* Open innovation has a somewhat elastic definition.