BDBM19481 1, 2, 3 -Triazole Nitrile Inhibitor, 11b::N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]thiophene-3-carboxamide

SMILES CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C(C)C

InChI Key InChIKey=JGVQFQVAOSUKHO-UHFFFAOYSA-N

Data  4 KI

  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 = 19481   

TargetCathepsin S(Human)
University of California Berkeley

LigandPNGBDBM19481(N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol...)
Affinity DataKi:  420nM ΔG°:  -9.04kcal/molepH: 6.1 T: 2°CAssay Description:The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2007
Entry Details Article
PubMed
TargetCathepsin K(Human)
University of California Berkeley

LigandPNGBDBM19481(N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol...)
Affinity DataKi:  430nM ΔG°:  -9.03kcal/molepH: 6.1 T: 2°CAssay Description:The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2007
Entry Details Article
PubMed
TargetProcathepsin L(Human)
University of California Berkeley

LigandPNGBDBM19481(N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol...)
Affinity DataKi: >1.00E+4nM ΔG°: >-7.09kcal/molepH: 6.1 T: 2°CAssay Description:The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2007
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of California Berkeley

LigandPNGBDBM19481(N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol...)
Affinity DataKi: >1.00E+4nM ΔG°: >-7.09kcal/molepH: 6.1 T: 2°CAssay Description:The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2007
Entry Details Article
PubMed