BDBM50250527 CHEMBL4066837

SMILES CC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O

InChI Key InChIKey=CNZLAHITQXPOEJ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50250527   

TargetBeta-secretase 1(Human)
Eli Lilly

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250527BDBM50250527(CHEMBL4066837)
Affinity DataIC50: 5nMAssay Description:Inhibition of Fc-fused BACE1 (1 to 460 residues) (unknown origin) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by fluore...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Eli Lilly

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250527BDBM50250527(CHEMBL4066837)
Affinity DataIC50: 101nMAssay Description:Inhibition of BACE1 (unknown origin) expressed in HEK293-APP751swe cells assessed as reduction in amyloid beta (1 to 40) level by sandwich-ELISA meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)