BDBM50210718 CHEMBL231646::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-cyano-N3,N3-dipropylisophthalamide

SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C#N

InChI Key InChIKey=PUPFKUSFCYPLGU-IOWSJCHKSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50210718   

TargetCathepsin D(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50210718(CHEMBL231646 | N1-((2S,3R)-4-(3-methoxybenzylamino...)
Affinity DataIC50:  660nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50210718(CHEMBL231646 | N1-((2S,3R)-4-(3-methoxybenzylamino...)
Affinity DataIC50:  90nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed