BDBM50121554 CHEMBL356155::N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-isonicotinamide

SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1ccncc1

InChI Key InChIKey=NCYCUZLVAKSGIR-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  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 = 50121554   

TargetCathepsin S(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121554(N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-...)
Affinity DataKd:  0.700nMAssay Description:Equilibrium dissociation constant determined using fluorescence based competitive binding assay towards Cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin S(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121554(N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-...)
Affinity DataIC50: 6nMAssay Description:Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirusMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin S(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121554(N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-...)
Affinity DataKi:  11nMAssay Description:Inhibition of recombinant Cathepsin S (unknown origin) expressed in Escherichia coli using Z-Val-Val-Arg-AMC as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetProcathepsin L(Human)
Johannes Gutenberg University Mainz

Curated by ChEMBL
LigandPNGBDBM50121554(N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-...)
Affinity DataKi:  1.02E+3nMAssay Description:Inhibition of human Cathepsin L using Z-Phe-Arg-AMC as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCathepsin B(Human)
Johannes Gutenberg University Mainz

Curated by ChEMBL
LigandPNGBDBM50121554(N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-...)
Affinity DataKi:  1.91E+3nMAssay Description:Inhibition of human Cathepsin B using Z-Phe-Arg-AMC as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed