BDBM256 (S)-5-[(Acetyl-{5-[1-carboxymethyl-3-(2-chloro-benzyl-sulfanyl)-2-oxo-propylcarbamoyl]thiophen-2-ylmethyl}-amino)methyl]-2-hydroxy-benzoic Acid::5-({N-[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}thiophen-2-yl)methyl]acetamido}methyl)-2-hydroxybenzoic acid::Inhibitor 47b::Thiophene Scaffold 47b

SMILES CC(=O)N(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O

InChI Key InChIKey=LOAXHXWQPLWYQU-QFIPXVFZSA-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 = 256   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM256((S)-5-[(Acetyl-{5-[1-carboxymethyl-3-(2-chloro-ben...)
Affinity DataKi:  140nM ΔG°:  -9.34kcal/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