BDBM50182869 CHEMBL439521::N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-4-(3,5-di(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-oxopropyl)-2H-tetrazole-5-carboxamide

SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1

InChI Key InChIKey=CLHGRAHPLPVFAC-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50182869   

TargetBeta-secretase 1(Human)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM50182869(N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-4-(3,5-di(...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of human recombinant BACE1 by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM50182869(N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-4-(3,5-di(...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of human recombinant BACE1 by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM50182869(N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-4-(3,5-di(...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM50182869(N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-4-(3,5-di(...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed