BDBM19699 (2S)-3-cyclohexyl-1-(4-methanesulfonylpiperazin-1-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, 33

SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCN(CC1)S(C)(=O)=O

InChI Key InChIKey=PHMHWEMXYJVODY-CPJSRVTESA-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 = 19699   

TargetCathepsin S(Homo sapiens (Human))
Gnf

LigandPNGBDBM19699((2S)-3-cyclohexyl-1-(4-methanesulfonylpiperazin-1-...)
Affinity DataKi:  1.08E+3nM ΔG°:  -8.46kcal/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