BDBM50142298 2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-1lambda*6*-thia-2-aza-anthracene-3-carboxylic acid {(S)-1-benzyl-2-oxo-2-[3-(2-oxo-pyrrolidin-1-yl)-propylcarbamoyl]-ethyl}-amide::CHEMBL8688

SMILES CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC1=O

InChI Key InChIKey=QKKFPSGZOBUBTA-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50142298   

TargetCalpain-1 catalytic subunit(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50142298(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)
Affinity DataIC50: 500nMAssay Description:In vitro inhibitory activity against human calpain 1 in Molt-4 cells (intact human T-cell leukemia cell line)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2012
Entry Details Article
PubMed