BDBM50386513 CHEMBL2048051

SMILES CCOC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F

InChI Key InChIKey=UJZFSYZNJMWXJO-NJONLQHESA-N

Data  3 IC50

PDB links: 2 PDB IDs match this monomer.

  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 = 50386513   

TargetBeta-secretase 1(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50386513(CHEMBL2048051)
Affinity DataIC50:  2nMAssay Description:Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysisMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50386513(CHEMBL2048051)
Affinity DataIC50:  230nMAssay Description:Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50386513(CHEMBL2048051)
Affinity DataIC50:  126nMAssay Description:Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassayMore data for this Ligand-Target Pair