BDBM50317672 CHEMBL1094664::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(4,5-Dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2,5-dihydroxybenzamide

SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1

InChI Key InChIKey=CZVXRMPJUHIDKH-JONZOVCNSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50317672   

TargetBeta-secretase 1(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50317672(CHEMBL1094664 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-...)
Affinity DataIC50:  11nMAssay Description:Inhibition of human BACE1 by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed