BDBM232 (S)-5-({3-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]isoxazol-5-ylmethyl}sulfamoyl)-2-hydroxy-benzoic Acid::5-{[(3-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}-1,2-oxazol-5-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Heterocyclic deriv. 65b::Inhibitor 65b

SMILES OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C(=O)CSCc1ccccc1Cl

InChI Key InChIKey=WMIODZZRGICKHN-SFHVURJKSA-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 = 232   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM232((S)-5-({3-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  60nM ΔG°:  -9.85kcal/molepH: 7.4 T: 25°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 DepthDetails ArticlePubMed