BDBM16722 (2S)-N-(2-methylpropyl)-2-({[(4S)-2-oxo-17-(N-propylmethanesulfonamido)-3-azatricyclo[13.3.1.1^{6,10}]icosa-1(19),6,8,10(20),15,17-hexaen-4-yl]methyl}amino)hexanamide::N-(2-methylpropyl)-N2-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide::macrocyclic BACE inhibitor, 19

SMILES CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1

InChI Key InChIKey=JRTACURQOKVHSE-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 16722   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

LigandPNGBDBM16722(N-(2-methylpropyl)-N2-{[(4S)-17-[(methylsulfonyl)(...)
Affinity DataIC50: 4nMpH: 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 Depth
Date in BDB:
7/25/2007
Entry Details Article
PubMed