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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50351923'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50351923
PNG
(CHEMBL1821814)
Show SMILES CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C27H33N3O/c1-18-8-6-7-11-24(18)21-12-13-25-22(15-21)16-23(26(28)30-25)14-19(2)27(31)29-17-20-9-4-3-5-10-20/h6-8,11-13,15-16,19-20H,3-5,9-10,14,17H2,1-2H3,(H2,28,30)(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by FRET assay


J Med Chem 54: 5836-57 (2011)


Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN
More data for this
Ligand-Target Pair