BDBM16039 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{[(2R)-2-amino-2-benzylpropoxy]methyl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::tertiary carbinamine derived inhibitor 6

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

InChI Key InChIKey=HEVVQTLSQHWKDS-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 16039   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

LigandPNGBDBM16039(3-{[(2R)-2-amino-2-benzylpropoxy]methyl}-N-[(1R)-1...)
Affinity DataIC50: 430nMpH: 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 Depth
Date in BDB:
5/28/2007
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

LigandPNGBDBM16039(3-{[(2R)-2-amino-2-benzylpropoxy]methyl}-N-[(1R)-1...)
Affinity DataIC50: 138nMpH: 7.2Assay Description:Inhibition of human BACE1 expressed in mouse fibroblast cells assessed as inhibition of secreted APPbeta-NF production at pH 7.2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

LigandPNGBDBM16039(3-{[(2R)-2-amino-2-benzylpropoxy]methyl}-N-[(1R)-1...)
Affinity DataIC50: 344nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed