BDBM16038 3-[(2-amino-2-benzyl-3-hydroxypropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{[(2S)-2-amino-2-benzyl-3-hydroxypropoxy]methyl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::tertiary carbinamine derived inhibitor 5

SMILES C[C@@H](NC(=O)c1cc(COC[C@@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1

InChI Key InChIKey=KWOISCWHVUWIQV-NGOKVRLYSA-N

Data  1 IC50

  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 = 16038   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM16038(3-[(2-amino-2-benzyl-3-hydroxypropoxy)methyl]-N-[(...)
Affinity DataIC50:  1.37E+3nMpH: 4.5 T: 2°CAssay Description:For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed