ChEMBL - wiki

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

The database, originally known 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 TheWellcome Trust, resulting in the creation of the ChEMBL chemogenomics group at EMBL-EBI, led by John Overington.

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 introduction of the new resource ADME SARfari - a tool for predicting and comparing cross-species ADME targets.

Further reading:

SureChEMBL: a large-scale, chemically annotated patent document database

G Papadatos, M Davies, N Dedman, J Chambers… - Nucleic acids research, 2015

Cited by 10

[HTML] oxfordjournals.org

ADME SARfari: Comparative Genomics of Drug Metabolising Systems

M Davies, N Dedman, A Hersey, G Papadatos, MD Hall… - Bioinformatics, 2015

Cited by 1

[HTML] oxfordjournals.org

ChEMBL: a large-scale bioactivity database for drug discovery

A Gaulton, LJ Bellis, AP Bento, J Chambers, M Davies… - Nucleic acids research, 2012

Cited by 1102

[HTML] oxfordjournals.org

[HTML] The ChEMBL bioactivity database: an update

AP Bento, A Gaulton, A Hersey, LJ Bellis, J Chambers… - Nucleic acids research, 2013

Cited by 257

[HTML] oxfordjournals.org

ChEMBL. an interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute outstation of the European Molecular Biology …

WA Warr - Journal of computer-aided molecular design, 2009

Cited by 150

[HTML] springer.com