BDBM20096 CHEMBL344174::benzyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate::dipeptide-derived nitrile, 17

SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1

InChI Key InChIKey=QXQAFIAKTXDYFI-UHFFFAOYSA-N

Data  10 KI  4 IC50

  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 14 hits for monomerid = 20096   

TargetCathepsin B(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibitory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of recombinant human cathepsin B expressed in baculovirus expression system using Z-Arg-Arg-AMC as substrate incubated for 20 mins by fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCysteine protease ATG4B(Human)
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed
TargetCysteine protease ATG4B(Human)
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed
TargetProcathepsin L(Human)
University of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataKi:  126nMAssay Description:Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetProcathepsin L(Bovine)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataKi:  180nMAssay 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(Human)
University of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataKi:  230nMAssay 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

LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataKi:  260nMAssay 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 B(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
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
TargetPapain(Papaya)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataKi:  360nM ΔG°:  -8.78kcal/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
TargetCruzipain(Trypanosoma cruzi)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataKi:  501nMAssay Description:Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataKi:  501nMAssay Description:Covalent inhibition of Trypanosoma cruzi cruzipain using Z-Phe-Arg-7-amidomethylcoumarin as substrate measured after 5 mins by fluorometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataKi:  501nMAssay Description:Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCathepsin S(Human)
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM20096(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Affinity DataKi:  510nMAssay 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