Enamine supported molecular modelling competition featured in Nature Scientific Reports

Nature Scientific Report “Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target”

Compound proposal contest has been held at Tokyo Institute of Technology (Japan) on January 7 - March 20 2014 in a form of open innovation competition. Organized by the Initiative for Parallel Bioinformatics (IPAB) and supported by Enamine, it was aimed at identification of novel approaches for Computer Aided Drug Discovery (CADD) and finding novel unique hit molecules.

Enamine provided its world’s largest Screening Collection as a source of diverse compounds for the contest participants, who were instructed to select a maximum of 1 200 prioritized compounds towards a specific biological target - Tyrosine-protein kinase Yes. The contest resulted into 600 unique molecules selected by jury, from which 27 inhibitors were identified, yielding finally 7 potential hits.

Enamine’s Screening Compounds Collection is a unique product offering containing more than 2 000 000 diverse and distinct compounds in significant amounts (typically, 150 mg in stock).