BDBM50312537 CHEMBL1076901::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-benzyloxymethyl-2-hydroxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide

SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1

InChI Key InChIKey=VNMYCPDLSFADGH-GAKCOCLISA-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 = 50312537   

TargetBeta-secretase 1(Homo sapiens (Human))
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312537(CHEMBL1076901 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarba...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of human BACE1 in HEK293 cells stably co-transfected with mutant APP(swAPP751) assessed as Amyloid beta 1-40 level after 24 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312537(CHEMBL1076901 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarba...)
Affinity DataIC50:  41nMAssay Description:Inhibition of human liver cathepsin D after 20 mins by homogeneous time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312537(CHEMBL1076901 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarba...)
Affinity DataIC50:  3.60nMAssay Description:Inhibition of BACE1 after 30 mins by homogeneous time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed