BDBM50331558 CHEMBL1289536::N-(1-amino-1,2-dioxopentan-3-yl)-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide

SMILES CC[C@@H](C(=O)C(=O)N)NC(=O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2

InChI Key InChIKey=VMSZYKRQEOLBRN-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50331558   

TargetCathepsin S(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331558(N-(1-amino-1,2-dioxopentan-3-yl)-2-chloro-4-(pyrid...)
Affinity DataIC50: 1.93E+3nMAssay Description:Inhibition of cathepsin S in human JY cells assessed as Lip10 accumulation by Western blottingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetCathepsin S(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331558(N-(1-amino-1,2-dioxopentan-3-yl)-2-chloro-4-(pyrid...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of human cathepsin S by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331558(N-(1-amino-1,2-dioxopentan-3-yl)-2-chloro-4-(pyrid...)
Affinity DataIC50: 8.70nMAssay Description:Inhibition of human cathepsin K by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)