BDBM20105 dipeptide-derived nitrile, 26::tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2-fluorophenyl)ethyl]carbamate

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1F)C(=O)NCC#N

InChI Key InChIKey=WNGKZFARHLWXIK-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 = 20105   

TargetPapain(Papaya)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20105(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
Affinity DataKi:  400nM ΔG°:  -8.72kcal/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
TargetProcathepsin L(Bovine)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20105(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
Affinity DataKi:  470nMAssay 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

LigandPNGBDBM20105(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
Affinity DataKi:  770nMAssay 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

LigandPNGBDBM20105(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
Affinity DataKi:  3.30E+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