BDBM26542 1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}azetidine-3-thiol::thiol-arylsulfonamide, 4a

SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC(S)C1

InChI Key InChIKey=DDWORVNNZSFIOY-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 = 26542   

LigandPNGBDBM26542(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}azetidine...)
Affinity DataKi:  13nM ΔG°:  -10.6kcal/molepH: 7.5 T: 22°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
In DepthDetails ArticlePubMed