BDBM19504 (2R)-N-(1-cyanocyclopropyl)-3-{[(2,3-difluorophenyl)methane]sulfonyl}-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}propanamide::trifluoroethylamine inhibitor, 14

SMILES Fc1cccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)c1F

InChI Key InChIKey=LJPQZPJJLKMWAU-HKUYNNGSSA-N

Data  4 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 4 hits for monomerid = 19504   

TargetCathepsin S(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19504((2R)-N-(1-cyanocyclopropyl)-3-{[(2,3-difluoropheny...)
Affinity DataIC50:  0.300nMpH: 6.5 T: 22°CAssay Description:Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProcathepsin L(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19504((2R)-N-(1-cyanocyclopropyl)-3-{[(2,3-difluoropheny...)
Affinity DataIC50:  105nMAssay Description:Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Rabbit)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19504((2R)-N-(1-cyanocyclopropyl)-3-{[(2,3-difluoropheny...)
Affinity DataIC50: >1.00E+4nMAssay Description:Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin B(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19504((2R)-N-(1-cyanocyclopropyl)-3-{[(2,3-difluoropheny...)
Affinity DataIC50:  1.84E+3nMAssay Description:Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed