BDBM50160990 (S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-pyrazol-1-yl-ethylamino)-2H-pyrazin-1-yl]-butyrylamino}-pentanoic acid::CHEMBL447233

SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O

InChI Key InChIKey=WPBCCSIRQOJBIN-XJDOXCRVSA-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 = 50160990   

TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160990((S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-pyrazo...)
Affinity DataIC50:  0.0820nMAssay Description:Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50160990((S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-pyrazo...)
Affinity DataIC50: >10nMAssay Description:Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160990((S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-pyrazo...)
Affinity DataIC50:  0.990nMAssay Description:Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50160990((S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-pyrazo...)
Affinity DataIC50:  2.30nMAssay Description:Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed