BDBM19544 (2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(pyridin-4-yl)phenyl]phenyl}ethyl]amino}pentanamide::trifluoroethylamine analogue, 34

SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)NCC#N

InChI Key InChIKey=BEIBKHNBLYXXAR-UHFFFAOYSA-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 = 19544   

TargetCathepsin S(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19544((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...)
Affinity DataIC50: 188nMpH: 6.5 T: 2°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 Article
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TargetCathepsin B(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19544((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...)
Affinity DataIC50: 483nMAssay 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 Article
PubMed
TargetCathepsin K(Rabbit)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19544((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...)
Affinity DataIC50: 0.200nMAssay 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 Article
PubMed
TargetProcathepsin L(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19544((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...)
Affinity DataIC50: 342nMAssay 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 Article
PubMed