BDBM10181 5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-5-methylpentyl)sulfamoyl]-2-hydroxybenzoic acid::sulfonamide analog 2

SMILES CC(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key InChIKey=YPNGEFMUSFEBOX-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 = 10181   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM10181(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Affinity DataKi:  6.40E+3nM ΔG°:  -7.01kcal/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:
6/29/2006
Entry Details Article
PubMed