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-YADHBBJMSA-N

Data  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 4 hits for monomerid = 50121549   

TargetCathepsin S(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121549(CHEMBL347111 | Morpholine-4-carboxylic acid {1-[(b...)
Affinity DataIC50:  6nMAssay Description:Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121549(CHEMBL347111 | Morpholine-4-carboxylic acid {1-[(b...)
Affinity DataIC50:  6nMAssay Description:Inhibition of cathepsin S in human B cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121549(CHEMBL347111 | Morpholine-4-carboxylic acid {1-[(b...)
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 DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50121549(CHEMBL347111 | Morpholine-4-carboxylic acid {1-[(b...)
Affinity DataKd:  0.400nMAssay Description:Equilibrium dissocation constant determined using fluorescence based competitive binding assay towards Cathepsin SMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed