BDBM19502 (2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethane)sulfonyl-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanamide::trifluoroethylamine inhibitor, 12

SMILES Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)CC1CC1)C(=O)NC1(CC1)C#N)C(F)(F)F

InChI Key InChIKey=NOTSCKFHTQJLMM-HOTGVXAUSA-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 = 19502   

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

LigandPNGBDBM19502((2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethane)...)
Affinity DataIC50:  0.5nMpH: 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

LigandPNGBDBM19502((2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethane)...)
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 DepthDetails ArticlePubMed
TargetCathepsin K(Oryctolagus cuniculus (rabbit))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19502((2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethane)...)
Affinity DataIC50:  2.00E+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 DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19502((2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethane)...)
Affinity DataIC50:  33nMAssay 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
LigandPNGBDBM19502((2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethane)...)
Affinity DataIC50:  62nMAssay 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

LigandPNGBDBM19502((2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethane)...)
Affinity DataIC50:  0.400nMAssay 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
LigandPNGBDBM19502((2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethane)...)
Affinity DataIC50:  188nMAssay 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