null

SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O

InChI Key InChIKey=GEZSSSVQIGDDMR-XJDOXCRVSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50160972   

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

Curated by ChEMBL
LigandPNGBDBM50160972((S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-isoxazol-5...)copy SMILEScopy InChI
Affinity DataIC50: 3.30nMAssay Description:Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D50MGSPubMed
TargetCaspase-3(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160972((S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-isoxazol-5...)copy SMILEScopy InChI
Affinity DataIC50: 0.0510nMAssay Description:Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D50MGSPubMed
TargetCaspase-7(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160972((S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-isoxazol-5...)copy SMILEScopy InChI
Affinity DataIC50: 2.5nMAssay Description:Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D50MGSPubMed
TargetCaspase-1(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160972((S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-isoxazol-5...)copy SMILEScopy InChI
Affinity DataIC50: 0.230nMAssay Description:Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D50MGSPubMed