BDBM20100 dipeptide-derived nitrile, 21::tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-phenylpropyl]carbamate

SMILES CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N

InChI Key InChIKey=PRZCFALVGKVVPB-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 20100   

TargetCathepsin B(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM20100(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-ph...)
Affinity DataKi: >330nMpH: 6.0Assay Description:Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details Article
PubMed
TargetCathepsin S(Human)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20100(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-ph...)
Affinity DataKi:  1.90E+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
TargetCathepsin K(Human)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20100(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-ph...)
Affinity DataKi:  8.50E+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
TargetProcathepsin L(Bovine)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20100(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-ph...)
Affinity DataKi:  9.40E+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

LigandPNGBDBM20100(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-ph...)
Affinity DataKi:  1.20E+4nM ΔG°:  -6.71kcal/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