BDBM255 (S)-5-[({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]thiophen-2-ylmethyl}amino)-methyl]-2-hydroxy-benzoic Acid::5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}thiophen-2-yl)methyl]amino}methyl)-2-hydroxybenzoic acid::Inhibitor 47a::Thiophene Scaffold 47a

SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNCc2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl

InChI Key InChIKey=AZTLWCKQYIECGA-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 = 255   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 255BDBM255(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Affinity DataKi:  800nM ΔG°:  -8.31kcal/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