BDBM50105231 (3S) 2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-1lambda*6*-thia-2-aza-anthracene-3-carboxylic acid (1-benzyl-2-oxo-ethyl)-amide::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-ethyl)-amide::2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-1lambda*6*-thia-2-aza-anthracene-3-carboxylic acid (1-benzyl-2-oxo-ethyl)-amide::CHEMBL269384

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

InChI Key InChIKey=NYRPMOIPQNHQBP-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50105231   

TargetCalpain-1 catalytic subunit(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50105231(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)
Affinity DataIC50: 7nMAssay 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
TargetCalpain-1 catalytic subunit(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50105231(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)
Affinity DataIC50: 7nMAssay Description:Inhibitory activity towards human calpain IMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50105231(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)
Affinity DataIC50: 33nMAssay Description:Inhibitory activity towards human calpain IMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50105231(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)
Affinity DataIC50: 500nMAssay Description:Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed