BDBM10652 (3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formamidopropanoic acid]-4-formamidobutanoic acid]-3-methylbutanamido]-4-oxo-7-phenylheptanoic acid::CHEMBL443565::Compound 2::PHENYL-PROPYL-KETONE INHIBITOR

SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1

InChI Key InChIKey=NHHJXCJHJPGPEF-JYEBCORGSA-N

Data  5 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 5 hits for monomerid = 10652   

TargetCaspase-3(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM10652((3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formami...)
Affinity DataIC50:  0.771nMpH: 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-7(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10652((3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formami...)
Affinity DataIC50:  0.00800nMAssay Description:Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10652((3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formami...)
Affinity DataIC50:  0.0160nMAssay Description:Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM10652((3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formami...)
Affinity DataIC50:  0.000800nMAssay Description:Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10652((3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formami...)
Affinity DataIC50:  0.310nMAssay Description:Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed