BDBM50182871 CHEMBL381826::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2Htetrazole-5-carboxamide::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(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)-2-amino-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)Nc1cccc(c1)-c1nnn[nH]1

InChI Key InChIKey=FWQPAHHKYLASJX-WBAQKLHDSA-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 = 50182871   

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

Curated by ChEMBL
LigandPNGBDBM50182871(CHEMBL381826 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50182871(CHEMBL381826 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of human BACE1 by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50182871(CHEMBL381826 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of human recombinant BACE1 by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50182871(CHEMBL381826 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of human recombinant BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed