BDBM19496 (2R)-N-(1-cyanocyclopropyl)-3-methanesulfonyl-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanamide::trifluoroethylamine inhibitor, 6

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

InChI Key InChIKey=HBOZUMOKFHNMQI-STQMWFEESA-N

Data  7 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 7 hits for monomerid = 19496   

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

LigandPNGBDBM19496((2R)-N-(1-cyanocyclopropyl)-3-methanesulfonyl-2-{[...)
Affinity DataIC50:  1.80nMpH: 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 DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19496((2R)-N-(1-cyanocyclopropyl)-3-methanesulfonyl-2-{[...)
Affinity DataIC50:  1.10E+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(Oryctolagus cuniculus (rabbit))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19496((2R)-N-(1-cyanocyclopropyl)-3-methanesulfonyl-2-{[...)
Affinity DataIC50:  405nMAssay 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 S(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19496((2R)-N-(1-cyanocyclopropyl)-3-methanesulfonyl-2-{[...)
Affinity DataIC50:  5nMAssay Description:Inhibition of cathepsin S-mediated antigen presentation in B/T hybridoma cells assessed as IL-2 levelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19496((2R)-N-(1-cyanocyclopropyl)-3-methanesulfonyl-2-{[...)
Affinity DataIC50:  230nMAssay Description:Inhibition of cathepsin L using FR-aminoluciferin as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19496((2R)-N-(1-cyanocyclopropyl)-3-methanesulfonyl-2-{[...)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of cathepsin S using FR-aminoluciferin as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19496((2R)-N-(1-cyanocyclopropyl)-3-methanesulfonyl-2-{[...)
Affinity DataIC50:  1.01E+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