BDBM50199754 CHEMBL244229::N-((S,E)-6-(benzylthiomethyl)-1-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-ylamino)-2-oxoethyl)-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl)-2-naphthamide

SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CSCc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O

InChI Key InChIKey=MFLPCWJZGMOISU-WKEDTZOBSA-N

Data  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50199754   

TargetCaspase-1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50199754(CHEMBL244229 | N-((S,E)-6-(benzylthiomethyl)-1-(2-...)
Affinity DataIC50:  8nMAssay Description:Inhibition of ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50199754(CHEMBL244229 | N-((S,E)-6-(benzylthiomethyl)-1-(2-...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50199754(CHEMBL244229 | N-((S,E)-6-(benzylthiomethyl)-1-(2-...)
Affinity DataIC50:  1.61E+3nMAssay Description:Inhibition of caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed