The ChEMBL-og - Open Data For Drug Discovery

The news, progress, whereabouts, and ephemera from the Computational Chemical Biology group at the EMBL-EBI.

ChEMBL Resources

ChEMBL database

ADMET SARfari

ESFRIs

ELIXIR
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ECRIN
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About ChEMBL

The ChEMBL-og covers the activities of the Computational Chemical Biology Group at the EMBL-EBI in Hinxton. Our interests cover Drug Discovery, Computational Chemical Biology, Chemogenomics, Chemoinformatics, Bioinformatics, Structural Biology, Pharmacogenomics, Open Data, Knowledge Management, Semantic Web, and Data Integration and include...

ChEMBLdb - a drug discovery SAR and bioactivity database.
SARfari - a sequence, binding site, structure, SAR integration platform.
DrugEBIlity - Drug target annotation & prioritisation.
ChEMBL-NTD Data repository for neglected tropical diseases.
Open Source Intelligence (OSINT), Public-Private partnerships & Precompetitive activities.

More details of our interests can be found here, and details of some of our publications here.

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ChEMBL-og Popular Posts

How far behind the patent literature is the primary literature?

I can't believe that people haven't looked at this before, and I should have looked on 'The Interwebs', so I'm not claiming this is worl...
New Drug Approvals 2012 - Pt. XI - Taliglucerase alfa (Elelyso^TM)

ATC code : A16AB11 Wikipedia : Taliglucerase alfa On May 1, the FDA approved taliglucerase alfa for the treatment of Type I Gau...
New Drug Approvals 2012 - Pt. X - Avanafil (Stendra^TM)

ATC code : G04BE (partial) Wikipedia : Avanafil On April 27th, the FDA approved Avanafil (tradename: Stendra ; Research Code: TA...
Why Drug Repurposing for Small Molecule Drugs is Probably Best Done in Academia

There was a lovely paper in Nature Medicine recently by James McKerrow and colleagues from UCSF on the discovery that auranofin is a g...
Are there around 10¹⁹ Lipinski-like small molecules?

I'm a big fan of the work of Jean-Louis Reymond at the University of Berne , and am starting to imagine a time when the enormity of chemi...

ChEMBL Databases and Microsites

UniChem
ChEMBLdb
DrugEBIlity
ChEMBL-NTD
ChEMBL FAQs
GPCR SARfari
Open PHACTS
Kinase SARfari
ChEMBL Group
eTox IMI Project
EU-OPENSCREEN
jpo's work library
Pipeline Pilot Server
EMBL-EBI Systems News
ChEMBL Data Entry Portal

Research Notebooks

Rita's Notebook
Felix's Notebook
Ben's Notebook
Patricia's Notebook

Various ChEMBL Pages

Home
GPCR Structures
Large Scientific Meetings And Organisations
Research Code Stems

Some Of The Other stuff we have done

Joy - Protein structure residue markup
Homstrad - aligned 3-D protein structures

ChEMBL-og Labels

ChEMBL-og Archive

► 2012 (93)
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► 2011 (200)
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▼ 2010 (148)
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► 2009 (165)
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► 2008 (20)
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EMBL-EBI Industry Programme

General events calendar
Industry Workshops
Industry Quarterly Strategy Meetings
Industry Web Page
Industry Brochure

Funding Agencies

Association of Medical Research Charities
BBSRC
Bill & Melinda Gates Foundation
Council of Foundations
EPSRC
Framework 7
Innovative Medicines Initiative
MRC
National Institute of Health
Wellcome Trust

Professional Societies and Organizations

AAAS
ACS
Cambridge Infectious Disease
CASE
Fortran Standards
International Society for Biocuration
ISSX
IUPHAR
La Société de Chimie Thérapeutique
MGMS
Royal Society of Chemistry (RSC)
Society for Medicines Research (SMR)
Society of Chemical Industry (SCI)
The Chemoinformatics and QSAR Society
UK QSAR and Chemoinformatics Group

Literature Links

OSRA
PubMed
BioTorrents
EMBL Library
Sanger Library
PubMed Central
Nature Magazine
Science Magazine
The Cochrane Collaboration
ISI Web of Knowledge (license needed)

EMBL-EBI Recruitment

EMBL-EBI PhD Studentships
EMBL-EBI Jobs

Labs and Projects

Clinical Trials Portals

Clinicaltrials.gov
IFPMA

Neglected Tropical Disease Links

DNDI
WWARN
PlasmoDB
TDR Targets
Medicines for Malaria Venture
British Society for Parasitology
World Federation of Parasitologists
Liverpool School of Tropical Medicine
London School Hygiene and Tropical Medicine
American Society of Tropical Medicine and Hygiene

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