BDBM50072046 (S)-3-Acetylamino-N-[(3R,6S,9aR)-3-((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-octahydro-thiazolo[3,2-a]azepin-6-yl]-succinamic acid::3-Acetylamino-N-[3-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-octahydro-thiazolo[3,2-a]azepin-6-yl]-succinamic acid::CHEMBL329917

SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H]1CC(=O)OC1O

InChI Key InChIKey=YFRQXTHWRACLFD-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50072046   

TargetCaspase-3(Human)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072046(3-Acetylamino-N-[3-(2-hydroxy-5-oxo-tetrahydro-fur...)
Affinity DataIC50: 18nMAssay 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-1(Mouse)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072046(3-Acetylamino-N-[3-(2-hydroxy-5-oxo-tetrahydro-fur...)
Affinity DataIC50: 1.04E+4nMAssay 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-1(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50072046(3-Acetylamino-N-[3-(2-hydroxy-5-oxo-tetrahydro-fur...)
Affinity DataIC50: 1.04E+4nMAssay 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
TargetCaspase-3(Human)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072046(3-Acetylamino-N-[3-(2-hydroxy-5-oxo-tetrahydro-fur...)
Affinity DataIC50: 18nMAssay 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