BDBM16719 (2S)-2-({[18-(N-methylmethanesulfonamido)-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.1^{6,10}]henicosa-1(20),6,8,10(21),16,18-hexaen-4-yl]methyl}amino)-N-(2-methylpropyl)butanamide::(2S)-2-[({18-[methyl(methylsulfonyl)amino]-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.16,10]henicosa-1(20),6(21),7,9,16,18-hexaen-4-yl}methyl)amino]-N-(2-methylpropyl)butanamide::1:1 mixture of diastereomers at the tyrosinyl center.::macrocyclic BACE inhibitor, 10

SMILES CC[C@H](NCC1Cc2cccc(OCCNC(=O)c3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C

InChI Key InChIKey=YORBZAOAAOMNJG-NASUQTAISA-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 = 16719   

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

LigandPNGBDBM16719((2S)-2-({[18-(N-methylmethanesulfonamido)-2,15-dio...)
Affinity DataIC50:  32nMpH: 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