BDBM12064 (3S)-3-({2-[3-methyl-4-(propan-2-yl)phenoxy]benzene}sulfonamido)-4-oxobutanoic acid::Diphenyl Ether Sulfonamide 10

SMILES CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C

InChI Key InChIKey=LYHMKIWUMWSZLE-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 12064   

TargetCaspase-1(Human)
L J University Ahmedabad

Curated by ChEMBL
LigandPNGBDBM12064((3S)-3-({2-[3-methyl-4-(propan-2-yl)phenoxy]benzen...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCaspase-1(Human)
L J University Ahmedabad

Curated by ChEMBL
LigandPNGBDBM12064((3S)-3-({2-[3-methyl-4-(propan-2-yl)phenoxy]benzen...)
Affinity DataKi:  110nM ΔG°:  -9.87kcal/molepH: 7.0 T: 2°CAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2006
Entry Details Article
PubMed