BDBM50052693 (2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl)-butylcarbamoyl]-oxirane-2-carboxylic acid ethyl ester::(2S,3S)-ethyl 3-(((S)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)carbamoyl)oxirane-2-carboxylate::(2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methylbutane ethyl ester::3-[3-Methyl-1-(3-methyl-butylcarbamoyl)-butylcarbamoyl]-oxirane-2-carboxylic acid ethyl ester::Aloxistatin::CHEMBL63440

SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C

InChI Key InChIKey=SRVFFFJZQVENJC-UHFFFAOYSA-N

Data  1 KI  7 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 8 hits for monomerid = 50052693   

TargetCathepsin G(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50052693((2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methyl...)
Affinity DataIC50: 1.10E+3nMAssay Description:Blockade of cathepsin G processing in human U937 cells by densitometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetNeutrophil elastase(Mouse)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50052693((2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methyl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetCathepsin G(Mouse)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50052693((2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methyl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of cathepsin G activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetMyeloblastin(Mouse)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50052693((2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methyl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of proteinase-3 activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50052693((2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methyl...)
Affinity DataIC50: 2.41E+3nMAssay Description:Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50052693((2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methyl...)
Affinity DataIC50: 6.23E+4nMAssay Description:Inhibition of human erythrocytes mu-calpain using Pep1 as substrate incubated for 30 mins under shaking condition in presence of CaCl2 by fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetCathepsin B(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50052693((2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methyl...)
Affinity DataIC50: 1.44E+4nMAssay Description:Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetPapain(Papaya)
University of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50052693((2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methyl...)
Affinity DataKi:  5.20E+4nMpH: 6.8Assay Description:Kinetic constant Apparent binding constant (Ki`) for the inhibition of papain conducted in 0.1 M phosphate, pH 6.8, at 30 degree CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed