BDBM50294219 (3S,14R,16S)-16-((R)-1-hydroxy-2-(3-isopropylbenzylamino)ethyl)-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione::(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione::CHEMBL564010

SMILES CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1

InChI Key InChIKey=LHBBUGLYVFZUTH-GXVHRJHYSA-N

Data  3 IC50

PDB links: 2 PDB IDs match this monomer.

  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 3 hits for monomerid = 50294219   

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

Curated by ChEMBL
LigandPNGBDBM50294219((3S,14R,16S)-16-((R)-1-hydroxy-2-(3-isopropylbenzy...)
Affinity DataIC50:  27nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCathepsin D(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50294219((3S,14R,16S)-16-((R)-1-hydroxy-2-(3-isopropylbenzy...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50294219((3S,14R,16S)-16-((R)-1-hydroxy-2-(3-isopropylbenzy...)
Affinity DataIC50:  45nMAssay Description:Inhibition of BACE1 expressed in CHO cells expressing human recombinant APP assessed as amyloid beta40 aggregationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)