BDBM19483 1, 2, 3 -Triazole Nitrile Inhibitor, 11d::N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-1-cyclohexylethyl]thiophene-3-carboxamide

SMILES CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CCCCC1

InChI Key InChIKey=ORQKIPRFYXHIBY-UHFFFAOYSA-N

Data  4 KI  3 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 = 19483   

TargetProcathepsin L(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19483(N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol...)
Affinity DataIC50: 2.00E+4nMAssay 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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCathepsin S(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19483(N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol...)
Affinity DataIC50: 10nMAssay 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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCathepsin S(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19483(N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol...)
Affinity DataIC50: 76nMAssay 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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCathepsin S(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19483(N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol...)
Affinity DataKi:  18nM ΔG°:  -11.0kcal/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

LigandPNGBDBM19483(N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol...)
Affinity DataKi:  1.70E+3nM ΔG°:  -8.18kcal/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)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19483(N-[(1S)-1-{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

LigandPNGBDBM19483(N-[(1S)-1-{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