BDBM19728 (3S)-3-[(1R)-1-[3-(naphthalene-2-amido)-2-oxo-1,2-dihydropyridin-1-yl]-1-phenylacetamido]-4-oxo-5-phenoxypentanoic acid::PEP-1

SMILES OC(=O)C[C@H](NC(=O)[C@@H](c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1

InChI Key InChIKey=INQLGDGUTMTJDV-BHDXBOSCSA-N

Data  1 KI  1 ITC

  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 = 19728   

TargetCaspase-3(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM19728((3S)-3-[(1R)-1-[3-(naphthalene-2-amido)-2-oxo-1,2-...)
Affinity DataKi:  165nMAssay Description:Enzyme activities with or without inhibitors were measured using a fluorescence assay. The formation of the cleavage product AFC was monitored for 90...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 19728   

CellCaspase-3(Homo sapiens (Human))
Wyeth Research

SyringePNGBDBM19728((3S)-3-[(1R)-1-[3-(naphthalene-2-amido)-2-oxo-1,2-...)
ITC DataΔG°: -9.65kcal/mole −TΔS°: -7.20kcal/mole ΔH°: -2.46kcal/mole logk: 1.23E+7
pH: 7.2 T: 25.00°C 
In DepthDetails ArticlePubMed