BDBM50484453 Shishicrellastatin A

SMILES [Na;v0+].[Na;v0+].[Na;v0+].[H][C@]12[#6][C@]([#6])([#8]C1([#6])[#6])[#6@@H](-[#6]-[#6]-[#6@@H](-[#6])[C@@]1([H])[#6]-[#6][C@@]3([H])[#6]-4=[#6](-[#6]-[#6][C@]13[#6])[C@@]1([#6])[#6]-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#6])-[#6]1=[#6]-[#6]-4)-[#8][C@@]([H])([#6]2)[#6@@H](-[#6])[C@@]1([H])[#6]-[#6][C@@]2([H])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@]12[#6]-[#6][C@]([#8])([#8]-[#6]1)[#6@@H](-[#6])[C@]2([H])[#6@H](-[#6]-3)-[#8]S([#8-])(=O)=O

InChI Key InChIKey=LXWKUGWDXFOHNA-DVEFMRHVSA-K

Data  1 IC50

  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 = 50484453   

TargetCathepsin B(Bos taurus (bovine))
The University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50484453(Shishicrellastatin A)
Affinity DataIC50:  6.79E+3nMAssay Description:Inhibition of bovine cathepsin B after 1 hr by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed