BDBM20108 dipeptide-derived nitrile, 29::tert-butyl N-[(1S)-2-(3-bromophenyl)-1-[(cyanomethyl)carbamoyl]ethyl]carbamate

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N

InChI Key InChIKey=YAOVCTOYZLWTGL-ZDUSSCGKSA-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 = 20108   

TargetProcathepsin L(Bos taurus (bovine))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20108(dipeptide-derived nitrile, 29 | tert-butyl N-[(1S)...)
Affinity DataKi:  270nMAssay 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
In DepthDetails ArticlePubMed
TargetPapain(Carica papaya)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20108(dipeptide-derived nitrile, 29 | tert-butyl N-[(1S)...)
Affinity DataKi:  330nM ΔG°:  -8.84kcal/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 DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20108(dipeptide-derived nitrile, 29 | tert-butyl N-[(1S)...)
Affinity DataKi:  340nMAssay 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
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM20108(dipeptide-derived nitrile, 29 | tert-butyl N-[(1S)...)
Affinity DataKi:  5.17E+3nMpH: 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 DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20108(dipeptide-derived nitrile, 29 | tert-butyl N-[(1S)...)
Affinity DataKi:  6.50E+3nMAssay 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
In DepthDetails ArticlePubMed