BDBM16721 (2S)-2-({[17-(N-methylmethanesulfonamido)-2-oxo-3-azatricyclo[13.3.1.1^{6,10}]icosa-1(19),6,8,10(20),15,17-hexaen-4-yl]methyl}amino)-N-(2-methylpropyl)butanamide::macrocyclic BACE inhibitor, 12

SMILES CC[C@H](NCC1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C

InChI Key InChIKey=ABGNOCQONIAVFH-RXBHZZDJSA-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 = 16721   

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

LigandPNGBDBM16721((2S)-2-({[17-(N-methylmethanesulfonamido)-2-oxo-3-...)
Affinity DataIC50:  90nMpH: 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 DepthDetails ArticlePubMed