BDBM16412 1-N-[(2S,3R)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 13

SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)C)N(C)S(C)(=O)=O)c1ccc(F)cc1

InChI Key InChIKey=BILACAQKFWZXQE-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 16412   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

LigandPNGBDBM16412(1-N-[(2S,3R)-4-(tert-butylamino)-3-hydroxy-1-pheny...)
Affinity DataIC50: 15nMpH: 4.5 T: 2°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
In Depth
Date in BDB:
7/2/2007
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

LigandPNGBDBM16412(1-N-[(2S,3R)-4-(tert-butylamino)-3-hydroxy-1-pheny...)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of BACE1 after 2 hrs by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed