BDBM248 5-({5-[1-Carboxymethyl-2-(7-methyl-benzoxazol-2-yl)-2-oxo-ethylcarbamoyl]thiophen-2-ylmethyl}sulfamoyl)-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-3-carboxy-1-(7-methoxy-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamoyl}thiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Inhibitor 42b::Thiophene Scaffold 42b

SMILES COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1

InChI Key InChIKey=GGYJPVNQLXYGOZ-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 = 248   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM248(5-({5-[1-Carboxymethyl-2-(7-methyl-benzoxazol-2-yl...)
Affinity DataKi:  290nM ΔG°:  -8.91kcal/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