BDBM19493 (2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino}-N-(1-cyanocyclopropyl)-3-(methylsulfanyl)propanamide::trifluoroethylamine inhibitor, 3

SMILES CSC[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N

InChI Key InChIKey=MQRWKSMRQVMZEN-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 = 19493   

TargetCathepsin S(Human)
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19493((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Affinity DataIC50: 80nMpH: 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

LigandPNGBDBM19493((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Affinity DataIC50: 417nMAssay 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

LigandPNGBDBM19493((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Affinity DataIC50: 5nMAssay 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

LigandPNGBDBM19493((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Affinity DataIC50: 456nMAssay 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