BDBM252 (3S)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo-3-[(5-{[3-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzene]sulfonamidomethyl}thiophen-2-yl)formamido]pentanoic acid::(S)-5-(2-Chloro-benzylsulfanyl)-4-oxo-3-[(5-{[3-(5-oxo-4,5-dihydro[1,2,4]oxadiazol-3-yl)benzenesulfonylamino]-methyl}thiophene-2-carbonyl)amino]pentanoic Acid::Inhibitor 77::Thiophene Scaffold 77

SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nc(=O)o[nH]2)s1)C(=O)CSCc1ccccc1Cl

InChI Key InChIKey=USVOMZAPZHSFMM-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 = 252   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM252((3S)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo-3-...)
Affinity DataKi:  310nM ΔG°:  -8.87kcal/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