BDBM19697 (2S)-3-cyclohexyl-1-(1,1-dioxo-1,4-thiomorpholin-4-yl)-1-oxopropan-2-yl N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate::Arylaminoethyl carbamate, 31

SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCS(=O)(=O)CC1

InChI Key InChIKey=ZRSFBDGSGFINTI-CYFREDJKSA-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 = 19697   

TargetCathepsin S(Homo sapiens (Human))
Gnf

LigandPNGBDBM19697((2S)-3-cyclohexyl-1-(1,1-dioxo-1,4-thiomorpholin-4...)
Affinity DataKi:  422nM ΔG°:  -9.04kcal/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 DepthDetails ArticlePubMed