BDBM50323087 2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6-carbonitrile::CHEMBL1209531

SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1

InChI Key InChIKey=VKSGXYBWSOFNOU-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50323087   

TargetCathepsin S(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50323087(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6...)
Affinity DataIC50: >1.00E+4nMAssay 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 S(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50323087(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6...)
Affinity DataIC50:  3.90nMAssay Description:Inhibition of human recombinant cathepsin SMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50323087(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6...)
Affinity DataIC50:  3.90nMAssay Description:Inhibition of human cathepsin S by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50323087(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6...)
Affinity DataIC50:  1.07E+3nMAssay Description:Inhibition of human cathepsin K by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50323087(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6...)
Affinity DataIC50:  1.07E+3nMAssay Description:Inhibition of human recombinant cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed