BDBM50175329 (4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-7-(isoquinoline-1-carboxamido)-6-oxo-decahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide::CHEMBL382090

SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12

InChI Key InChIKey=XQRCYZUOALTFCB-SEYDZQODSA-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 = 50175329   

TargetCaspase-1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50175329((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)
Affinity DataIC50:  1nMAssay Description:Inhibitory activity against Caspase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50175329((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)
Affinity DataIC50:  595nMAssay Description:Inhibitory activity against Caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50175329((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory activity against Caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed