BDBM50160946 (S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-5-[(piperidin-1-ylmethyl)-amino]-pentanoic acid::CHEMBL434147

SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCCCC1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C

InChI Key InChIKey=NJAQASWTRGUAGC-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50160946   

TargetCaspase-7(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160946((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...)
Affinity DataIC50: 0.130nMAssay Description:Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160946((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...)
Affinity DataIC50: 0.0210nMAssay Description:Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160946((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...)
Affinity DataIC50: 0.620nMAssay Description:Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-8(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160946((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...)
Affinity DataIC50: 10nMAssay Description:Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed