BDBM19527 (2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide::trifluoroethylamine analogue, 16

SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)c(F)c1)C(F)(F)F)C(=O)NCC#N

InChI Key InChIKey=QKEJYPYBQSRFEX-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 19527   

TargetCathepsin S(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19527((2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluoroph...)
Affinity DataIC50: 189nMpH: 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 Depth
Date in BDB:
12/18/2007
Entry Details Article
PubMed
TargetCathepsin B(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19527((2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluoroph...)
Affinity DataIC50: 8.87E+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 Depth
Date in BDB:
12/18/2007
Entry Details Article
PubMed
TargetCathepsin K(Rabbit)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19527((2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluoroph...)
Affinity DataIC50: 1.10nMAssay 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 Depth
Date in BDB:
12/18/2007
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19527((2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluoroph...)
Affinity DataIC50: 1.00E+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 Depth
Date in BDB:
12/18/2007
Entry Details Article
PubMed