BDBM10549 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyacetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 28

SMILES COc1ccc(OC)c(c1)C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1

InChI Key InChIKey=HWKXAKRQXXUBFD-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 = 10549   

TargetCaspase-3(Human)
Merck Frosst Canada

LigandPNGBDBM10549((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethox...)
Affinity DataIC50: 29nMAssay 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:
8/7/2006
Entry Details Article
PubMed
TargetCaspase-1(Human)
Merck Frosst Canada

LigandPNGBDBM10549((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethox...)
Affinity DataIC50: 4.49E+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:
8/7/2006
Entry Details Article
PubMed
TargetCaspase-7(Human)
Merck Frosst Canada

LigandPNGBDBM10549((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethox...)
Affinity DataIC50: 545nMAssay 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:
8/7/2006
Entry Details Article
PubMed
TargetCaspase-8(Human)
Merck Frosst Canada

LigandPNGBDBM10549((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethox...)
Affinity DataIC50: 975nMAssay 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:
8/7/2006
Entry Details Article
PubMed