BDBM50386533 CHEMBL2047898

SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]cc(CC(F)F)c4c3)[C@@H]2O)c1

InChI Key InChIKey=OOZZVYSXZBAROL-PSUQPPDWSA-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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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50386533   

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

Curated by ChEMBL
LigandPNGBDBM50386533(CHEMBL2047898)
Affinity DataIC50:  7.42E+3nMAssay 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
TargetCathepsin D(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50386533(CHEMBL2047898)
Affinity DataIC50:  1.22E+3nMAssay 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
LigandPNGBDBM50386533(CHEMBL2047898)
Affinity DataIC50:  55nMAssay Description:Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysisMore data for this Ligand-Target Pair