BDBM247 5-[(5-{1-Carboxymethyl-2-[5-(2,6-dichloro-phenyl)-oxazol-2-yl]-2-oxo-ethylcarbamoyl}thiophen-2-ylmethyl)-sulfamoyl]-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-3-carboxy-1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-oxopropan-2-yl]carbamoyl}thiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Inhibitor 41b::Thiophene Scaffold 41b

SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl

InChI Key InChIKey=ACBRCEPZVPRKPJ-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 = 247   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM247(Thiophene Scaffold 41b | 5-[(5-{1-Carboxymethyl-2-...)
Affinity DataKi:  380nM ΔG°:  -8.75kcal/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