BDBM19696 (2S)-3-cyclohexyl-1-oxo-1-(thiomorpholin-4-yl)propan-2-yl N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate::Arylaminoethyl carbamate, 30

SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCSCC1

InChI Key InChIKey=GTULEBHQFAVTAZ-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 = 19696   

TargetCathepsin S(Human)
Gnf

LigandPNGBDBM19696((2S)-3-cyclohexyl-1-oxo-1-(thiomorpholin-4-yl)prop...)
Affinity DataKi:  23nM ΔG°:  -10.8kcal/molepH: 5.5 T: 2°CAssay Description:The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2007
Entry Details Article
PubMed