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Assay Detail

CHEMBL1827652

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of BACE1 using 19F-labeled EVNLDAEF(CF3) as substrate after 20 mins by NMR spectrometry
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Beta-secretase 1 (CHEMBL4822)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

From fragment screening to in vivo efficacy: optimization of a series of 2-aminoquinolines as potent inhibitors of beta-site amyloid precursor protein cleaving enzyme 1 (BACE1).
Cheng Y, Judd TC, Bartberger MD, Brown J, Chen K, Fremeau RT, Hickman D, Hitchcock SA, Jordan B, Li V, Lopez P, Louie SW, Luo Y, Michelsen K, Nixey T, Powers TS, Rattan C, Sickmier EA, St Jean DJ, Wahl RC, Wen PH, Wood S.
J Med Chem (2011) 54 : 5836 -5857
PubMed 21707077 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 5 3.31 3.47

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL189197 1 3.47
CHEMBL1821800 1 3.40
CHEMBL1821799 1 3.34
CHEMBL1821798 1 3.25
CHEMBL61236 1 3.10

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL189197 IC50 = 338000.0 nM 3.47
CHEMBL1821800 IC50 = 400000.0 nM 3.40
CHEMBL1821799 IC50 = 460000.0 nM 3.34
CHEMBL1821798 IC50 = 562000.0 nM 3.25
CHEMBL61236 IC50 = 800000.0 nM 3.10