BDBM50323088 2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydroxyethyl)-9H-purine-6-carbonitrile::CHEMBL1209533

SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2ncn(CCO)c2n1

InChI Key InChIKey=QHQDWAPRBHWGKK-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50323088   

TargetCathepsin S(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50323088(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydrox...)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of human recombinant cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50323088(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydrox...)
Affinity DataIC50: 282nMAssay Description:Inhibition of human recombinant cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetCathepsin S(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50323088(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydrox...)
Affinity DataIC50: 509nMAssay 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:
3/19/2011
Entry Details Article
PubMed