BDBM50294218 (3S,14R,16S)-16-((R)-1-hydroxy-2-((S)-6-isopropyl-2,2-dimethylchroman-4-ylamino)ethyl)-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione::CHEMBL558488

SMILES C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C

InChI Key InChIKey=MNENNUUKHSBOKZ-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50294218   

TargetBeta-secretase 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50294218((3S,14R,16S)-16-((R)-1-hydroxy-2-((S)-6-isopropyl-...)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of BACE1 expressed in CHO cells expressing human recombinant APP assessed as amyloid beta40 aggregationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50294218((3S,14R,16S)-16-((R)-1-hydroxy-2-((S)-6-isopropyl-...)
Affinity DataIC50: 2nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin D(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50294218((3S,14R,16S)-16-((R)-1-hydroxy-2-((S)-6-isopropyl-...)
Affinity DataIC50: 1nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed