BDBM26557 3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}cyclopentane-1-thiol::thiol-aryl sulfone, 23

SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1CCC(S)C1

InChI Key InChIKey=MGTOBLJTRIDRIH-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 26557   

LigandPNGBDBM26557(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}cyclopent...)
Affinity DataKi:  50nM ΔG°:  -9.85kcal/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
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Date in BDB:
1/26/2009
Entry Details Article
PubMed