BDBM50271626 CHEMBL509210::N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-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]1NCCN(Cc2ccccc2)C1=O

InChI Key InChIKey=XKXGRRZAMDHVGR-UHFFFAOYSA-N

Data  3 KI  3 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 6 hits for monomerid = 50271626   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50271626(N1-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3...)
Affinity DataKi:  3nMAssay 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
LigandPNGBDBM50271626(N1-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3...)
Affinity DataIC50: 3nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50271626(N1-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3...)
Affinity DataIC50: 22nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCathepsin E(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50271626(N1-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3...)
Affinity DataKi:  30nMAssay Description:Inhibition of cathepsin EMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50271626(N1-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3...)
Affinity DataKi:  47nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50271626(N1-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3...)
Affinity DataIC50: 300nMAssay Description:Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed