BDBM50231688 CHEMBL252458::N-((2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide::N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide

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

InChI Key InChIKey=BNTVCVCCNARYIP-URLMMPGGSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50231688   

TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231688(CHEMBL252458 | N-((2S,3R)-4-(2,6-dimethylheptan-2-...)
Affinity DataIC50:  230nMAssay Description:Inhibition of BACE1 assessed as beta amyloid 40 production by cell based assayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231688(CHEMBL252458 | N-((2S,3R)-4-(2,6-dimethylheptan-2-...)
Affinity DataIC50:  210nMAssay Description:Inhibition of BACE1 assessed as beta amyloid 42 production by cell based assayMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231688(CHEMBL252458 | N-((2S,3R)-4-(2,6-dimethylheptan-2-...)
Affinity DataIC50:  2.51E+3nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231688(CHEMBL252458 | N-((2S,3R)-4-(2,6-dimethylheptan-2-...)
Affinity DataIC50:  5.89E+3nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231688(CHEMBL252458 | N-((2S,3R)-4-(2,6-dimethylheptan-2-...)
Affinity DataIC50:  33nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair