BDBM10669 (3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-{1-[2-ethoxy-5-(2-methoxy-2-oxoethoxy)phenyl]acetamido}-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone analog 11

SMILES CCOc1ccc(OCC(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl

InChI Key InChIKey=NQQYDLPVVQFZEU-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 = 10669   

TargetCaspase-3(Human)
Merck Frosst Canada

LigandPNGBDBM10669((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Affinity DataIC50: 53nMpH: 7.0 T: 2°CAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2006
Entry Details Article
PubMed
TargetCaspase-1(Human)
Merck Frosst Canada

LigandPNGBDBM10669((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Affinity DataIC50: 6.50E+3nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2006
Entry Details Article
PubMed
TargetCaspase-7(Human)
Merck Frosst Canada

LigandPNGBDBM10669((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Affinity DataIC50: 1.70E+3nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2006
Entry Details Article
PubMed
TargetCaspase-8(Human)
Merck Frosst Canada

LigandPNGBDBM10669((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Affinity DataIC50: 9.30E+3nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2006
Entry Details Article
PubMed