BDBM19491 (2S)-N-(1-cyanocyclopropyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methanesulfonylphenyl)phenyl]ethyl]amino}pentanamide::trifluoroethylamine inhibitor, 1

SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N

InChI Key InChIKey=MJJJUBXJMQFNNM-VXKWHMMOSA-N

Data  5 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 5 hits for monomerid = 19491   

TargetCathepsin S(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19491((2S)-N-(1-cyanocyclopropyl)-4-methyl-2-{[(1S)-2,2,...)
Affinity DataIC50:  265nMpH: 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 ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19491((2S)-N-(1-cyanocyclopropyl)-4-methyl-2-{[(1S)-2,2,...)
Affinity DataIC50:  7.74E+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
TargetCathepsin K(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM19491((2S)-N-(1-cyanocyclopropyl)-4-methyl-2-{[(1S)-2,2,...)
Affinity DataIC50:  0.300nMAssay Description:Inhibition of humanized rabbit cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19491((2S)-N-(1-cyanocyclopropyl)-4-methyl-2-{[(1S)-2,2,...)
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 DepthDetails ArticlePubMed
TargetCathepsin K(Oryctolagus cuniculus (rabbit))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19491((2S)-N-(1-cyanocyclopropyl)-4-methyl-2-{[(1S)-2,2,...)
Affinity DataIC50:  0.300nMAssay 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