BDBM10536 (3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phenylacetamido)butanamido]-4-oxopentanoic acid::valine aspartyl ketone 15::valine aspartyl ketone analog 9

SMILES CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1

InChI Key InChIKey=WKXYWPGXIYWMSC-RDPSFJRHSA-N

Data  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 10536   

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

LigandPNGBDBM10536((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phen...)
Affinity DataIC50:  746nMpH: 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 DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10536((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phen...)
Affinity DataIC50:  2.12E+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

LigandPNGBDBM10536((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phen...)
Affinity DataIC50:  8.36E+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-8(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10536((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phen...)
Affinity DataIC50:  2.25E+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-3(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10536((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phen...)
Affinity DataIC50:  750nMpH: 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 DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10536((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phen...)
Affinity DataIC50:  2.20E+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

LigandPNGBDBM10536((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phen...)
Affinity DataIC50:  8.40E+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-8(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10536((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phen...)
Affinity DataIC50:  2.21E+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