BDBM50160976 (3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiazol-3-yl)methylamino)-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid::(S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-7-phenyl-heptanoic acid::CHEMBL180623

SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C

InChI Key InChIKey=YSDNTHYUFYFOEN-AIBWNMTMSA-N

Data  8 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 8 hits for monomerid = 50160976   

TargetCaspase-8(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160976((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)
Affinity DataIC50:  5.30nMAssay Description:Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160976((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)
Affinity DataIC50:  0.140nMAssay Description:Inhibitory concentration against recombinant human caspase-7 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
LigandPNGBDBM50160976((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)
Affinity DataIC50:  5.10nMAssay Description:Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160976((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)
Affinity DataIC50:  14nMAssay Description:Inhibition of human recombinant caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160976((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)
Affinity DataIC50:  140nMAssay Description:Inhibition of human recombinant caspase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160976((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)
Affinity DataIC50:  5.13E+3nMAssay Description:Inhibition of human recombinant caspase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160976((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)
Affinity DataIC50:  5.29E+3nMAssay Description:Inhibition of human recombinant caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160976((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)
Affinity DataIC50:  0.0140nMAssay Description:Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed