BDBM50317028 CHEMBL1097322::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-tosylpiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide

SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(C)cc1

InChI Key InChIKey=JYPSWKIBLIGHIH-UHFFFAOYSA-N

Data  1 KI  1 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 = 50317028   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317028(N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R...)
Affinity DataKi:  60nMAssay Description:Inhibition oh BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317028(N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of BACE1 expressed in HEK293 cells expressing human APP assessed as amyloid beta42 productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed