BDBM50316862 CHEMBL1099023::N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxooctan-4-ylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl)-3,4-dimethoxybenzamide

SMILES COc1ccc(cc1OC)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C

InChI Key InChIKey=GGHVXVYDMPZKPU-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 = 50316862   

TargetBeta-secretase 1(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50316862(N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2...)
Affinity DataIC50: 3.81E+3nMAssay Description:Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed