BDBM10545 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-methylpropanamido)-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 24

SMILES CC(C)[C@H](NC(=O)C(C)(C)O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1

InChI Key InChIKey=NFIKFLKFPBETBR-YJBOKZPZSA-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 = 10545   

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

LigandPNGBDBM10545((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-met...)
Affinity DataIC50:  467nMAssay 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

LigandPNGBDBM10545((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-met...)
Affinity DataIC50:  1.38E+4nMAssay 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

LigandPNGBDBM10545((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-met...)
Affinity DataIC50:  1.09E+4nMAssay 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

LigandPNGBDBM10545((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-met...)
Affinity DataIC50:  1.84E+4nMAssay 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