BDBM50250529 CHEMBL4089395

SMILES CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2CO[C@H](CN2)OCC3CCCCC3)O

InChI Key InChIKey=XQHQHHREHKYCIG-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50250529   

TargetBeta-secretase 1(Human)
Eli Lilly

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250529BDBM50250529(CHEMBL4089395)
Affinity DataIC50: 220nMAssay 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 50250529BDBM50250529(CHEMBL4089395)
Affinity DataIC50: 480nMAssay 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)