BDBM19796 (2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl}butan-2-yl N-[(3S)-1-[(6-fluoropyridin-2-yl)amino]-2-oxoheptan-3-yl]carbamate::ketone analog, 3m

SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNc1cccc(F)n1

InChI Key InChIKey=AIBOMLIMFLTQOS-UHFFFAOYSA-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 = 19796   

TargetCathepsin K(Human)
Gsk

LigandPNGBDBM19796((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Affinity DataIC50: 2.10nMpH: 5.5 T: 2°CAssay Description:Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed
TargetCathepsin S(Human)
Gsk

LigandPNGBDBM19796((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Affinity DataIC50: 19nMAssay Description:Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed
TargetCathepsin B(Human)
Gsk

LigandPNGBDBM19796((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Affinity DataIC50: 68nMpH: 5.5 T: 2°CAssay Description:Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Gsk

LigandPNGBDBM19796((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Affinity DataIC50: 250nMAssay Description:Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed