BDBM50312540 CHEMBL1076906::N-[(1S,2S,4S)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxypentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide

SMILES CC(C)[C@H](NC(=O)[C@@H](C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1

InChI Key InChIKey=YSJJYNYCVZLWDI-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50312540   

TargetBeta-secretase 1(Human)
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312540(N-[(1S,2S,4S)-4-((S)-1-Benzylcarbamoyl-2-methylpro...)
Affinity DataIC50: 340nMAssay Description:Inhibition of human BACE1 in HEK293 cells stably co-transfected with mutant APP(swAPP751) assessed as Amyloid beta 1-40 level after 24 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312540(N-[(1S,2S,4S)-4-((S)-1-Benzylcarbamoyl-2-methylpro...)
Affinity DataIC50: 10nMAssay Description:Inhibition of BACE1 after 30 mins by homogeneous time resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312540(N-[(1S,2S,4S)-4-((S)-1-Benzylcarbamoyl-2-methylpro...)
Affinity DataIC50: 120nMAssay Description:Inhibition of human liver cathepsin D after 20 mins by homogeneous time resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed