BDBM10540 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-3-methylbutanamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 19

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

InChI Key InChIKey=UOXUEVOSPBMSDB-VDGAXYAQSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 10540   

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

LigandPNGBDBM10540((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-...)
Affinity DataIC50:  118nMpH: 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-8(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10540((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-...)
Affinity DataIC50:  7.34E+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

LigandPNGBDBM10540((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-...)
Affinity DataIC50:  3.41E+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-1(Homo sapiens (Human))
Merck Frosst Canada

LigandPNGBDBM10540((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-...)
Affinity DataIC50:  3.02E+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