BDBM10208 5-[(5-{[(2S)-1-carboxy-4-(methylsulfanyl)-3-oxobutan-2-yl]carbamoyl}-5-phenylpentyl)sulfamoyl]-2-hydroxybenzoic acid::sulfonamide analog 30

SMILES CSCC(=O)[C@H](CC(O)=O)NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1

InChI Key InChIKey=YUPJTVWXRSLXQE-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10208   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM10208(5-[(5-{[(2S)-1-carboxy-4-(methylsulfanyl)-3-oxobut...)
Affinity DataKi:  600nM ΔG°:  -8.48kcal/moleT: 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