null

SMILES CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CC[C@H](C)CC1

InChI Key InChIKey=GEOZVEILQGZHSF-RJUGYJNNSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 19484   

TargetCathepsin S(Homo sapiens (Human))
University of California at Berkeley

LigandPNGBDBM19484(1, 2, 3 -Triazole Nitrile Inhibitor, 11e | N-[(1S)...)copy SMILEScopy InChI
Affinity DataKi:  15nM ΔG°:  -11.1kcal/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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0RSVPubMed
TargetCathepsin K(Homo sapiens (Human))
University of California at Berkeley

LigandPNGBDBM19484(1, 2, 3 -Triazole Nitrile Inhibitor, 11e | N-[(1S)...)copy SMILEScopy InChI
Affinity DataKi: >1.50E+4nM ΔG°: >-6.84kcal/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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0RSVPubMed
TargetCathepsin B(Homo sapiens (Human))
University of California at Berkeley

LigandPNGBDBM19484(1, 2, 3 -Triazole Nitrile Inhibitor, 11e | N-[(1S)...)copy SMILEScopy InChI
Affinity DataKi: >1.50E+4nM ΔG°: >-6.84kcal/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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0RSVPubMed
TargetProcathepsin L(Homo sapiens (Human))
University of California at Berkeley

LigandPNGBDBM19484(1, 2, 3 -Triazole Nitrile Inhibitor, 11e | N-[(1S)...)copy SMILEScopy InChI
Affinity DataKi: >1.50E+4nM ΔG°: >-6.84kcal/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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0RSVPubMed