null

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC#N

InChI Key InChIKey=LBPWPYULLFYAQF-ZDUSSCGKSA-N

  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 5 hits for monomerid = 20103   

TargetPapain(Carica papaya)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20103(dipeptide-derived nitrile, 24 | tert-butyl N-[(1S)...)copy SMILEScopy InChI
Affinity DataKi:  270nM ΔG°:  -8.95kcal/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 Article
BindingDB Entry DOI: 10.7270/Q2GB22BGPubMed
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM20103(dipeptide-derived nitrile, 24 | tert-butyl N-[(1S)...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TH8PMMPubMed
TargetCathepsin S(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20103(dipeptide-derived nitrile, 24 | tert-butyl N-[(1S)...)copy SMILEScopy InChI
Affinity DataKi:  590nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2GB22BGPubMed
TargetProcathepsin L(Bos taurus (bovine))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20103(dipeptide-derived nitrile, 24 | tert-butyl N-[(1S)...)copy SMILEScopy InChI
Affinity DataKi:  640nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2GB22BGPubMed
TargetCathepsin K(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20103(dipeptide-derived nitrile, 24 | tert-butyl N-[(1S)...)copy SMILEScopy InChI
Affinity DataKi:  1.30E+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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB22BGPubMed