BDBM10554 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-{1-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamido}-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 33

SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1

InChI Key InChIKey=COLCPJSXGNKCEG-CUNXSJBXSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 10554   

TargetCaspase-3(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10554((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{1-[2-methoxy-5-...)
Affinity DataIC50:  9nMAssay 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 DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10554((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{1-[2-methoxy-5-...)
Affinity DataIC50:  3.29E+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 DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10554((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{1-[2-methoxy-5-...)
Affinity DataIC50:  97nMAssay 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 DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10554((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{1-[2-methoxy-5-...)
Affinity DataIC50:  5.45E+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 DepthDetails ArticlePubMed