BDBM269 (S)-3-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-pyridin-2-ylmethyl]sulfamoyl}benzoic Acid Trifluoroacetate::3-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}pyridin-2-yl)methyl]sulfamoyl}benzoic acid::Inhibitor 50::Pyridine Scaffold 50

SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(O)=O)nc1)C=O

InChI Key InChIKey=MENAYYMPBRSAAE-AWEZNQCLSA-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 = 269   

TargetCaspase-3(Human)
Sunesis Pharmaceuticals

LigandPNGBDBM269((S)-3-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-p...)
Affinity DataKi:  160nM ΔG°:  -9.26kcal/molepH: 7.4 T: 25°CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed