BDBM20106 dipeptide-derived nitrile, 27::tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2,3,4,5,6-pentafluorophenyl)ethyl]carbamate

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NCC#N

InChI Key InChIKey=HFIXINSRDQMCHS-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 20106   

TargetProcathepsin L(Bovine)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20106(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
Affinity DataKi:  2.50E+3nMAssay Description:Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/15/2008
Entry Details Article
PubMed
TargetPapain(Papaya)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20106(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
Affinity DataKi:  1.40E+4nM ΔG°:  -6.62kcal/molepH: 6.5 T: 2°CAssay Description:Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/15/2008
Entry Details Article
PubMed
TargetCathepsin S(Human)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20106(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
Affinity DataKi:  1.50E+4nMAssay Description:Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/15/2008
Entry Details Article
PubMed
TargetCathepsin K(Human)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20106(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
Affinity DataKi: >1.00E+5nMAssay Description:Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/15/2008
Entry Details Article
PubMed