BDBM233 (S)-5-{[4-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thiophen-2-ylmethyl]sulfamoyl}-2-hydroxy-benzoic Acid::5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}thiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Heterocyclic deriv. 67a::Inhibitor 67a

SMILES OC(=O)C[C@H](NC(=O)c1csc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)c1)C=O

InChI Key InChIKey=XXUAWKHXQZNZAZ-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 = 233   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM233(Heterocyclic deriv. 67a | (S)-5-{[4-(1-Carboxymeth...)
Affinity DataKi:  2.50E+3nM ΔG°:  -7.64kcal/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