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

SMILES CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(N)=O

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(CHEMBL1289536 | N-(1-amino-1,2-dioxopentan-3-yl)-2...)
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 DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331558(CHEMBL1289536 | N-(1-amino-1,2-dioxopentan-3-yl)-2...)
Affinity DataIC50:  8.70nMAssay Description:Inhibition of human cathepsin K by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCathepsin S(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331558(CHEMBL1289536 | N-(1-amino-1,2-dioxopentan-3-yl)-2...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of human cathepsin S by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed