BDBM50317036 CHEMBL1097330::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-((R)-4-(3,4-dimethoxyphenylsulfonyl)piperazin-2-yl)-1-hydroxypropan-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(OC)c(OC)c1

InChI Key InChIKey=ICKZAOQSKQYZHX-UHFFFAOYSA-N

Data  1 KI  1 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 = 50317036   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317036(N1-((1S,2S)-3-(3,5-difluorophenyl)-1-((R)-4-(3,4-d...)
Affinity DataKi:  45nMAssay 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
LigandPNGBDBM50317036(N1-((1S,2S)-3-(3,5-difluorophenyl)-1-((R)-4-(3,4-d...)
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