BDBM50042393 CHEMBL432443::[1-(1-Benzyl-2-butylcarbamoyl-2-oxo-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester

SMILES CCCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1

InChI Key InChIKey=VLHHFIURJMMQSU-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50042393   

TargetCalpain-2 catalytic subunit(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50042393(CHEMBL432443 | [1-(1-Benzyl-2-butylcarbamoyl-2-oxo...)
Affinity DataKi:  28nMpH: 8.0Assay Description:Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalpain small subunit 1/1 catalytic subunit(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50042393(CHEMBL432443 | [1-(1-Benzyl-2-butylcarbamoyl-2-oxo...)
Affinity DataKi:  500nMAssay Description:Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Bos taurus (bovine))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50042393(CHEMBL432443 | [1-(1-Benzyl-2-butylcarbamoyl-2-oxo...)
Affinity DataKi:  3.00E+3nMpH: 5.2Assay Description:Inhibition of alpha-keto esters towards cathepsin B at pH 5.2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed