BDBM50072043 CHEMBL92561::[(3R,6S,9aR)-3-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-octahydro-thiazolo[3,2-a]azepin-6-yl]-carbamic acid benzyl ester

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

InChI Key InChIKey=WFAFPBUNRGYZDA-IPGUZUCZSA-N

Data  2 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 2 hits for monomerid = 50072043   

TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072043(CHEMBL92561 | [(3R,6S,9aR)-3-((S)-2-Hydroxy-5-oxo-...)
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
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072043(CHEMBL92561 | [(3R,6S,9aR)-3-((S)-2-Hydroxy-5-oxo-...)
Affinity DataIC50:  159nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed