[QSAR] Public Database of Protein-Ligand Binding Affinities-- www.bindingdb.org

[List for Members of QSAR and Modeling Society]

Dear Colleague,

Perhaps you will be interested in a public database my group has 
developed, if it is not already familiar to you. 

    BindingDB (http://www.bindingdb.org) contains 15,000 small molecule
    ligands with 30,000 measured affinities to proteins represented in
    the PDB. The number of data is increasing at a rate of about
    10,000/year.

    The proteins are drug-targets or candidate drug-targets.
    The ligands include thousands not present in the PDB, and many have
    stronger affinities and very different binding modes.

    List of target proteins:   
    http://www.bindingdb.org/bind/ByTargetNames.jsp.
    Chemical similarity and substructure searching:
    http://www.bindingdb.org/bind/chemsearch/marvin/index.jsp

    The web-site allows you to download computer representations of
    molecules, along with affinity and related data, to use on your own
    computer.

    Citation: http://nar.oxfordjournals.org/cgi/content/full/35/suppl_1/D198

Please feel free to contact me with comments, questions, and suggestions!

Best regards,
Mike Gilson

P.S.  I hope you do not mind receiving this one-time message.

-- 
Michael K. Gilson, M.D., Ph.D.
CARB Fellow and Professor
Center for Advanced Research in Biotechnology
University of Maryland Biotechnology Institute
9600 Gudelsky Drive
Rockville, MD 20850
Voice: 240-314-6217
Fax:   240-314-6255
gilson<at>umbi.umd.edu
Lab Page: gilsonlab.umbi.umd.edu
BindingDB: www.bindingdb.org

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