BDBM50121549 CHEMBL347111::Morpholine-4-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide::N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-cyclohexyl-1-oxopropan-2-yl)morpholine-4-carboxamide

SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1

InChI Key InChIKey=KPJQLFLWVFCIAV-UHFFFAOYSA-N

Data  3 KI  3 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 7 hits for monomerid = 50121549   

TargetCathepsin S(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121549(N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-c...)
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
LigandPNGBDBM50121549(N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-c...)
Affinity DataKd:  0.400nMAssay 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
LigandPNGBDBM50121549(N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-c...)
Affinity DataIC50: 5.5nMAssay Description:Inhibition of human recombinant cathepsin S expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed
TargetCathepsin S(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121549(N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-c...)
Affinity DataIC50: 6nMAssay Description:Inhibition of cathepsin S in human B cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed
TargetCathepsin S(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121549(N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-c...)
Affinity DataKi:  1.20nMMore 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
LigandPNGBDBM50121549(N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-c...)
Affinity DataKi:  543nMMore 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
LigandPNGBDBM50121549(N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-c...)
Affinity DataKi:  1.05E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed