BDBM50175338 (4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-6-oxo-decahydro-[1,4]oxazino[4,3-a]azocine-4-carboxamide::CHEMBL381624

SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12

InChI Key InChIKey=WNMPCOLHJBPQIT-UHFFFAOYSA-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 = 50175338   

TargetCaspase-1(Human)
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50175338((4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N...)
Affinity DataIC50: 1nMAssay Description:Inhibitory activity against Caspase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-8(Human)
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50175338((4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N...)
Affinity DataIC50: 429nMAssay Description:Inhibitory activity against Caspase 8More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50175338((4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against Caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed