BDBM16703 (2R)-2-(5-{3-[methyl(methylsulfonyl)amino]-5-(2-methylpropanoyl)phenyl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-aminium::(2R)-2-{5-[3-(N-methylmethanesulfonamido)-5-(2-methylpropanoyl)phenyl]-1,3,4-oxadiazol-2-yl}-1-phenylpropan-2-aminium::tertiary carbinamine, 2

SMILES CC(C)C(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O

InChI Key InChIKey=QDDYTSPHESIQJC-HSZRJFAPSA-O

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 = 16703   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

LigandPNGBDBM16703((2R)-2-(5-{3-[methyl(methylsulfonyl)amino]-5-(2-me...)
Affinity DataKi:  1.65E+4nM ΔG°:  -6.45kcal/molepH: 4.5 T: 22°CAssay Description:The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed