BDBM50160975 (S)-5-Benzylsulfanyl-3-(2-{3-[(isoxazol-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL362191

SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2ccon2)c1=O

InChI Key InChIKey=QLHDEYZCVHOGEF-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50160975   

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

Curated by ChEMBL
LigandPNGBDBM50160975((S)-5-Benzylsulfanyl-3-(2-{3-[(isoxazol-3-ylmethyl...)
Affinity DataIC50: 2.90nMAssay 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
TargetCaspase-1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160975((S)-5-Benzylsulfanyl-3-(2-{3-[(isoxazol-3-ylmethyl...)
Affinity DataIC50: 0.400nMAssay 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-7(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160975((S)-5-Benzylsulfanyl-3-(2-{3-[(isoxazol-3-ylmethyl...)
Affinity DataIC50: 5.20nMAssay 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
LigandPNGBDBM50160975((S)-5-Benzylsulfanyl-3-(2-{3-[(isoxazol-3-ylmethyl...)
Affinity DataIC50: 0.0460nMAssay 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