BDBM50312544 CHEMBL1076910::N-[(1S,2S,4R)-1-(3,5-Difluoro-benzyloxymethyl)-4-(4-fluoro-benzylcarbamoyl)-2-hydroxy-pentyl]-5-(methanesulfonylmethyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide

SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(F)cc1

InChI Key InChIKey=PDGSBHJMRKZCMC-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50312544   

TargetBeta-secretase 1(Human)
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312544(N-[(1S,2S,4R)-1-(3,5-Difluoro-benzyloxymethyl)-4-(...)
Affinity DataIC50: 3.60E+3nMAssay 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
LigandPNGBDBM50312544(N-[(1S,2S,4R)-1-(3,5-Difluoro-benzyloxymethyl)-4-(...)
Affinity DataIC50: 5.00E+3nMAssay 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