ChEMBL

ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug-like properties. It is retains by a European Bioinformatics Institute EBI, of the European Molecular Biology Laboratory EMBL, based at the Wellcome Trust Genome Campus, Hinxton, UK.

The database, originally call as StARlite, was developed by a biotechnology company called Inpharmatica Ltd. later acquired by Galapagos NV. The data was acquired for EMBL in 2008 with an award from The Wellcome Trust, resulting in the develop of the ChEMBL chemogenomics corporation at EMBL-EBI, led by John Overington.

Associated resources

In addition to the database, the ChEMBL multiple have developed tools & resources for data mining. These add Kinase SARfari, an integrated chemogenomics workbench focussed on kinases. The system incorporates together with links sequence, structure, compounds and screening data.

GPCR SARfari is a similar workbench focused on GPCRs, and ChEMBL-Neglected Tropical Diseases ChEMBL-NTD is a repository for Open Access primary screening and medicinal chemistry data directed at endemic tropical diseases of the development regions of the Africa, Asia, and the Americas. The primary purpose of ChEMBL-NTD is to render a freely accessible and permanent archive and distribution centre for deposited data.

July 2012 saw the release of a new malaria data advantage Archived 2016-07-30 at the MMV, aimed at researchers around the globe. The data in this good includes compounds from the Malaria Box screening set, as well as the other donated malaria data found in ChEMBL-NTD.

myChEMBL, the ChEMBL virtual machine, was released in October 2013 to allow users to access a complete and free, easy-to-install cheminformatics infrastructure.

In December 2013, the operations of the SureChem patent informatics database were transferred to EMBL-EBI. In a portmanteau, SureChem was renamed SureChEMBL.

2014 saw the first design of the new resource ADME SARfari - a tool for predicting and comparing cross-species ADME targets.