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-MLAIWNIGSA-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(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072044(CHEMBL419508 | [(4S,7S,10aS)-4-((S)-2-Hydroxy-5-ox...)
Affinity DataIC50:  36nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50072044(CHEMBL419508 | [(4S,7S,10aS)-4-((S)-2-Hydroxy-5-ox...)
Affinity DataIC50:  36nMAssay Description:Inhibitory activity against IL-1 beta converting enzymeChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50072044(CHEMBL419508 | [(4S,7S,10aS)-4-((S)-2-Hydroxy-5-ox...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory activity against caspase-3.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50072044(CHEMBL419508 | [(4S,7S,10aS)-4-((S)-2-Hydroxy-5-ox...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed