BDBM19522 (2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide::trifluoroethylamine analogue, 11

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

InChI Key InChIKey=VPRPGHWVFIVNRD-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 = 19522   

TargetCathepsin S(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19522((2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Affinity DataIC50: 54nMpH: 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

LigandPNGBDBM19522((2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Affinity DataIC50: 2.99E+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

LigandPNGBDBM19522((2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Affinity DataIC50: 0.800nMAssay 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

LigandPNGBDBM19522((2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Affinity DataIC50: 13nMAssay 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