BDBM274 (3S)-3-[(6-{[3-(ethanesulfonyl)benzene]sulfonamidomethyl}pyridin-3-yl)formamido]-4-oxobutanoic acid::(S)-3-({6-[(3-Acetylsulfamoyl-benzenesulfonylamino)-methyl]pyridine-3-carbonyl}amino)-4-oxo-butyric AcidTrifluoroacetate::Inhibitor 55::Pyridine Scaffold 55

SMILES CC(=O)NS(=O)(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key InChIKey=WJYVXARRCUTRBW-UHFFFAOYSA-N

Data  1 KI

  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 1 hit for monomerid = 274   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM274((3S)-3-[(6-{[3-(ethanesulfonyl)benzene]sulfonamido...)
Affinity DataKi:  470nM ΔG°:  -8.63kcal/molepH: 7.4 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed