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-UHFFFAOYSA-N

Data  1 KI  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   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(Human)
Wyeth Research

LigandPNGBDBM19728((3S)-3-[(1R)-1-[3-(naphthalene-2-amido)-2-oxo-1,2-...)
Affinity DataKi:  165nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2007
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 19728   

CellCaspase-3(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 Article
PubMed