BDBM16704 (2R)-2-(5-{3-[(Z)-2-(2-methylcyclopropyl)ethenyl]-5-(N-propylmethanesulfonamido)phenyl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-aminium::(2R)-2-(5-{3-[(Z)-2-(2-methylcyclopropyl)ethenyl]-5-[(methylsulfonyl)(propyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-aminium::tertiary carbinamine, 3

SMILES CCCN(c1cc(\C=C/C2CC2C)cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)S(C)(=O)=O

InChI Key InChIKey=ATBRTKCWBKAENR-AHVFUXJKSA-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 = 16704   

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

LigandPNGBDBM16704((2R)-2-(5-{3-[(Z)-2-(2-methylcyclopropyl)ethenyl]-...)
Affinity DataKi:  51.9nM ΔG°:  -9.83kcal/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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed