BDBM16718 N-[4-(hydroxymethyl)-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.16,10]henicosa-1(20),6(21),7,9,16,18-hexaen-18-yl]-N-methylmethanesulfonamide::N-[4-(hydroxymethyl)-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.1^{6,10}]henicosa-1(20),6,8,10(21),16,18-hexaen-18-yl]-N-methylmethanesulfonamide::macrocyclic BACE inhibitor, 4

SMILES CN(c1cc2cc(c1)C(=O)NC(CO)Cc1cccc(OCCNC2=O)c1)S(C)(=O)=O

InChI Key InChIKey=LMMXTDKCHMQGJA-UHFFFAOYSA-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 = 16718   

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

LigandPNGBDBM16718(N-[4-(hydroxymethyl)-2,15-dioxo-11-oxa-3,14-diazat...)
Affinity DataIC50:  2.90E+3nMpH: 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