BDBM50372983 CHEMBL255750

SMILES CCc1cc(ccc1O)CCN

InChI Key InChIKey=LDAFQVRTSOETPE-UHFFFAOYSA-N

Data  1 Kd

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 1 hit for monomerid = 50372983   

TargetBeta-secretase 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50372983(CHEMBL255750)
Affinity DataKd:  6.60E+5nMAssay Description:Binding affinity to BACE1 by surface plasmon resonance methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)