BDBM50386513 CHEMBL2048051

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

InChI Key InChIKey=UJZFSYZNJMWXJO-UHFFFAOYSA-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 = 50386513   

TargetBeta-secretase 1(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
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(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
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin D(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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed