BDBM50276557 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-5-[methyl(methylsulfonyl)-amino]-N'-[(R)-1-(4-fluorophenyl)ethyl]isophthalamide::CHEMBL498966

SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1

InChI Key InChIKey=OTTBBRFLXGZXST-UHFFFAOYSA-N

Data  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 3 hits for monomerid = 50276557   

TargetBeta-secretase 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50276557((1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpi...)
Affinity DataIC50: 222nMAssay Description:Inhibition of human recombinant C-terminal histidine-tagged BACE1 expressed in baculovirus-infected insect cells by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50276557((1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpi...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of BACE1 in HEK293 cells transfected with human betaAPP695 mutant assessed as inhibition of amyloid beta (1 to 40) production after 24 hrs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAcetylcholinesterase(Rat)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50276557((1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpi...)
Affinity DataIC50: 1.35E+3nMAssay Description:Inhibition of AChE in rat cortex preincubated for 20 mins by Ellman methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed