BDBM20091 dipeptide-derived nitrile, 12::tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamate

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

InChI Key InChIKey=PDUKBZKBRGAZFC-VIFPVBQESA-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 = 20091   

TargetCathepsin B(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM20091(dipeptide-derived nitrile, 12 | tert-butyl N-[(1S)...)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPapain(Carica papaya)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20091(dipeptide-derived nitrile, 12 | tert-butyl N-[(1S)...)
Affinity DataKi:  650nM ΔG°:  -8.43kcal/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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20091(dipeptide-derived nitrile, 12 | tert-butyl N-[(1S)...)
Affinity DataKi:  660nMAssay Description:Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20091(dipeptide-derived nitrile, 12 | tert-butyl N-[(1S)...)
Affinity DataKi:  730nMAssay Description:Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProcathepsin L(Bos taurus (bovine))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20091(dipeptide-derived nitrile, 12 | tert-butyl N-[(1S)...)
Affinity DataKi:  1.90E+4nMAssay Description:Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed