BDBM50160949 (S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiophen-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-butyrylamino)-pentanoic acid::CHEMBL361613

SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O

InChI Key InChIKey=DONUNLOVYIQJNS-XJDOXCRVSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50160949   

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

Curated by ChEMBL
LigandPNGBDBM50160949((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiophe...)
Affinity DataIC50:  0.0650nMAssay Description:Inhibitory concentration against recombinant human caspase-1 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
LigandPNGBDBM50160949((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiophe...)
Affinity DataIC50:  0.810nMAssay 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
LigandPNGBDBM50160949((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiophe...)
Affinity DataIC50:  2.10nMAssay 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 Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160949((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiophe...)
Affinity DataIC50:  0.0360nMAssay Description:Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed