BDBM50386527 CHEMBL2047891

SMILES CC(c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)Br)N)F)(F)F

InChI Key InChIKey=QBRKIXCNLLQOPH-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50386527   

TargetBeta-secretase 1(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50386527(CHEMBL2047891)
Affinity DataIC50: 4.98E+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
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50386527(CHEMBL2047891)
Affinity DataIC50: 1.37E+3nMAssay 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)
TargetCathepsin D(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50386527(CHEMBL2047891)
Affinity DataIC50: 4.16E+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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed