BDBM19513 (2R)-3-(1,3-benzothiazole-2-sulfonyl)-N-(1-cyanocyclopropyl)-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}propanamide::trifluoroethylamine inhibitor, 23

SMILES FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1nc2ccccc2s1)C(=O)NC1(CC1)C#N)c1ccccc1

InChI Key InChIKey=JRUMBBNIAMXSAG-WMZOPIPTSA-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 = 19513   

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

LigandPNGBDBM19513((2R)-3-(1,3-benzothiazole-2-sulfonyl)-N-(1-cyanocy...)
Affinity DataIC50:  1.30nMpH: 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
TargetProcathepsin L(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

LigandPNGBDBM19513((2R)-3-(1,3-benzothiazole-2-sulfonyl)-N-(1-cyanocy...)
Affinity DataIC50:  114nMAssay 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

LigandPNGBDBM19513((2R)-3-(1,3-benzothiazole-2-sulfonyl)-N-(1-cyanocy...)
Affinity DataIC50:  825nMAssay 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

LigandPNGBDBM19513((2R)-3-(1,3-benzothiazole-2-sulfonyl)-N-(1-cyanocy...)
Affinity DataIC50:  2.97E+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