BDBM50271770 CHEMBL521794::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

SMILES COCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O

InChI Key InChIKey=WPKKFQFIRDGIQH-UHFFFAOYSA-N

Data  2 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 = 50271770   

TargetBeta-secretase 1(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50271770(N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-...)
Affinity DataIC50: 13nMAssay 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 1(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50271770(N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-...)
Affinity DataIC50: 1.50E+3nMAssay 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