BDBM50231693 CHEMBL429668::N-((2S,3R)-4-(2-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide

SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1OC)N1CCCC1=O

InChI Key InChIKey=PTIGXNFGODXOBH-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50231693   

TargetBeta-secretase 1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231693(N-((2S,3R)-4-(2-methoxybenzylamino)-3-hydroxy-1-ph...)
Affinity DataIC50: 1.35E+3nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231693(N-((2S,3R)-4-(2-methoxybenzylamino)-3-hydroxy-1-ph...)
Affinity DataIC50: 4.47E+4nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetCathepsin D(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231693(N-((2S,3R)-4-(2-methoxybenzylamino)-3-hydroxy-1-ph...)
Affinity DataIC50: 9.77E+3nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed