BDBM50484452 Shishicrellastatin B

SMILES [H][C@]12C[C@](C)(OC1(C)C)[C@@H](CC[C@@H](C)[C@@]1([H])CC=C3C4=C(CC[C@]13C)[C@@]1(C)C[C@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](C)C1=CC4)O[C@@]([H])(C2)[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@]12CC[C@](O)(OC1)[C@@H](C)[C@]2([H])[C@H](C3)OS([O-])(=O)=O

InChI Key InChIKey=BDLNKCQCJQOFAS-UHFFFAOYSA-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 = 50484452   

TargetCathepsin B(Bovine)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50484452(Shishicrellastatin B)
Affinity DataIC50: 6.80E+3nMAssay Description:Inhibition of bovine cathepsin B after 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMed