BDBM50276552 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)amino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide::CHEMBL502172

SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1

InChI Key InChIKey=NQGQLKZLDUJDEA-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50276552   

TargetBeta-secretase 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50276552((1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpipe...)
Affinity DataIC50: 55nMAssay Description:Inhibition of BACE1 in HEK293 cells transfected with human betaAPP695 mutant assessed as inhibition of amyloid beta (1 to 40) production after 24 hrs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50276552((1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpipe...)
Affinity DataIC50: 511nMAssay Description:Inhibition of human recombinant C-terminal histidine-tagged BACE1 expressed in baculovirus-infected insect cells by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed