BDBM12049 (3S)-3-[(3-methyl-2-phenylbenzene)sulfonamido]-4-oxobutanoic acid::(S)-3-(6-Methyl-biphenyl-2-sulfonylamino)-4-oxo-butyric acid::arylsulfonamide analogue 13

SMILES Cc1cccc(c1-c1ccccc1)S(=O)(=O)N[C@@H](CC(O)=O)C=O

InChI Key InChIKey=DUKWIKJCKVNLHC-UHFFFAOYSA-N

Data  2 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 3 hits for monomerid = 12049   

TargetCaspase-1(Human)
L J University Ahmedabad

Curated by ChEMBL
LigandPNGBDBM12049((S)-3-(6-Methyl-biphenyl-2-sulfonylamino)-4-oxo-bu...)
Affinity DataIC50: 3.44E+4nMMore 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
LigandPNGBDBM12049((S)-3-(6-Methyl-biphenyl-2-sulfonylamino)-4-oxo-bu...)
Affinity DataKi:  1.90E+3nM ΔG°:  -8.11kcal/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:
11/26/2006
Entry Details Article
PubMed
TargetCaspase-1(Human)
L J University Ahmedabad

Curated by ChEMBL
LigandPNGBDBM12049((S)-3-(6-Methyl-biphenyl-2-sulfonylamino)-4-oxo-bu...)
Affinity DataKi:  1.90E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed