BDBM20088 dipeptide-derived nitrile, 9::tert-butyl N-[(1S,2R)-1-[(cyanomethyl)carbamoyl]-2-methylbutyl]carbamate

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

InChI Key InChIKey=HNTBSHVGXMFKKB-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 20088   

TargetCathepsin S(Human)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20088(tert-butyl N-[(1S,2R)-1-[(cyanomethyl)carbamoyl]-2...)
Affinity DataKi:  4.10E+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

LigandPNGBDBM20088(tert-butyl N-[(1S,2R)-1-[(cyanomethyl)carbamoyl]-2...)
Affinity DataKi:  4.90E+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

LigandPNGBDBM20088(tert-butyl N-[(1S,2R)-1-[(cyanomethyl)carbamoyl]-2...)
Affinity DataKi:  5.80E+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

LigandPNGBDBM20088(tert-butyl N-[(1S,2R)-1-[(cyanomethyl)carbamoyl]-2...)
Affinity DataKi:  2.60E+4nM ΔG°:  -6.25kcal/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