BDBM10547 (3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamido]butanamido]-4-oxopentanoic acid::valine aspartyl ketone 26

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

InChI Key InChIKey=MRRFYSGODXBRSE-BBRMVZONSA-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 = 10547   

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

LigandPNGBDBM10547((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-[3,3,3-...)
Affinity DataIC50:  146nMAssay 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

LigandPNGBDBM10547((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-[3,3,3-...)
Affinity DataIC50: >1.00E+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

LigandPNGBDBM10547((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-[3,3,3-...)
Affinity DataIC50: >1.00E+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

LigandPNGBDBM10547((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-[3,3,3-...)
Affinity DataIC50: >1.00E+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