BDBM16702 (2R)-2-[5-(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)phenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-aminium::(2R)-2-[5-(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]phenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-aminium::tertiary carbinamine, 1

SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1

InChI Key InChIKey=QEJSJQVKMSAHHX-UHFFFAOYSA-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 = 16702   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

LigandPNGBDBM16702((2R)-2-[5-(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbam...)
Affinity DataKi:  42.4nM ΔG°:  -9.95kcal/molepH: 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
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Date in BDB:
7/25/2007
Entry Details Article
PubMed