BDBM26547 (3R)-1-[(4-{[4-(4-methylpiperazin-1-yl)but-2-yn-1-yl]oxy}benzene)sulfonyl]pyrrolidine-3-thiol::thiol-arylsulfonamide, 12b

SMILES CN1CCN(CC#CCOc2ccc(cc2)S(=O)(=O)N2CC[C@@H](S)C2)CC1

InChI Key InChIKey=KIAJGNVJPITLFF-GOSISDBHSA-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 = 26547   

LigandPNGBDBM26547((3R)-1-[(4-{[4-(4-methylpiperazin-1-yl)but-2-yn-1-...)
Affinity DataKi:  3.40E+3nM ΔG°:  -7.38kcal/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
In DepthDetails ArticlePubMed