BDBM231 (S)-5-{[3-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)is-oxazol-5-ylmethyl]sulfamoyl}-2-hydroxy-benzoic Acid::5-{[(3-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-1,2-oxazol-5-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Heterocyclic deriv. 65a::Inhibitor 65a

SMILES OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C=O

InChI Key InChIKey=JETOFKFBJLQWCA-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 = 231   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM231(Heterocyclic deriv. 65a | 5-{[(3-{[(2S)-1-carboxy-...)
Affinity DataKi:  160nM ΔG°:  -9.26kcal/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