BDBM50042418 CHEMBL2370490::{1-[1-(1-Ethyl-2,3-dioxo-pentylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)CC

InChI Key InChIKey=XKSLGEKDOUFYHP-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 = 50042418   

TargetCalpain small subunit 1/1 catalytic subunit(Human)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50042418({1-[1-(1-Ethyl-2,3-dioxo-pentylcarbamoyl)-3-methyl...)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Bovine)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50042418({1-[1-(1-Ethyl-2,3-dioxo-pentylcarbamoyl)-3-methyl...)
Affinity DataKi:  2.60E+3nMpH: 5.2Assay Description:Inhibition of alpha-keto esters towards cathepsin B at pH 5.2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCalpain-2 catalytic subunit(Human)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50042418({1-[1-(1-Ethyl-2,3-dioxo-pentylcarbamoyl)-3-methyl...)
Affinity DataKi:  2.60E+3nMpH: 8.0Assay Description:Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed