BDBM50175325 (4S,7S,11aS)-7-benzamido-2-benzoyl-N-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-6-oxo-decahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide::CHEMBL197127

SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)c1ccccc1

InChI Key InChIKey=XMHRXPMKDALTSG-RDCPFAOESA-N

Data  3 IC50

  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 3 hits for monomerid = 50175325   

TargetCaspase-8(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50175325((4S,7S,11aS)-7-benzamido-2-benzoyl-N-((3S)-2-hydro...)
Affinity DataIC50:  38nMAssay Description:Inhibitory activity against Caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50175325((4S,7S,11aS)-7-benzamido-2-benzoyl-N-((3S)-2-hydro...)
Affinity DataIC50:  7nMAssay Description:Inhibitory activity against Caspase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50175325((4S,7S,11aS)-7-benzamido-2-benzoyl-N-((3S)-2-hydro...)
Affinity DataIC50:  8.07E+3nMAssay Description:Inhibitory activity against Caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed