BDBM50072044 CHEMBL419508::[(4S,7S,10aS)-4-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-6-oxo-decahydro-pyrido[1,2-a]azepin-7-yl]-carbamic acid benzyl ester::[4-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-6-oxo-decahydro-pyrido[1,2-a]azepin-7-yl]-carbamic acid benzyl ester

SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N12

InChI Key InChIKey=VZBQJMYCHGRDBC-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50072044   

TargetCaspase-1(Mouse)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072044([(4S,7S,10aS)-4-((S)-2-Hydroxy-5-oxo-tetrahydro-fu...)
Affinity DataIC50: 36nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072044([(4S,7S,10aS)-4-((S)-2-Hydroxy-5-oxo-tetrahydro-fu...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072044([(4S,7S,10aS)-4-((S)-2-Hydroxy-5-oxo-tetrahydro-fu...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against caspase-3.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCaspase-1(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50072044([(4S,7S,10aS)-4-((S)-2-Hydroxy-5-oxo-tetrahydro-fu...)
Affinity DataIC50: 36nMAssay Description:Inhibitory activity against IL-1 beta converting enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed