BDBM50456676 CHEMBL4217172

SMILES COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccc(Br)cn2c1NC1CCCCC1

InChI Key InChIKey=DSBGDVLIELEKOH-UHFFFAOYSA-N

Data  1 KI

  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 = 50456676   

TargetBeta-secretase 1(Human)
University of Tehran

Curated by ChEMBL
LigandPNGBDBM50456676(CHEMBL4217172)
Affinity DataKi:  10nMAssay Description:Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus expression system using Rh-EVNLDAEFK-quencher as substrate after 90 mins by FR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed