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Assay Detail

CHEMBL1827651

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

Binding
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay
18
Total Activities
18
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
Kd 18 4.21 5.38

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1821810 1 5.38
CHEMBL1821808 1 5.21
CHEMBL1821805 1 5.14
CHEMBL1821804 1 4.97
CHEMBL1821803 1 4.97
CHEMBL1821813 1 4.85
CHEMBL1821802 1 4.65
CHEMBL1821809 1 4.42
CHEMBL1821801 1 4.41
CHEMBL1821800 1 3.68
CHEMBL189197 1 3.58
CHEMBL1821799 1 3.58
CHEMBL1821807 1 3.53
CHEMBL1821798 1 3.27
CHEMBL61236 1 3.05
CHEMBL1821806 1 2.70
CHEMBL1821811 1 -
CHEMBL1821812 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1821810 Kd = 4200.0 nM 5.38
CHEMBL1821808 Kd = 6100.0 nM 5.21
CHEMBL1821805 Kd = 7200.0 nM 5.14
CHEMBL1821804 Kd = 10800.0 nM 4.97
CHEMBL1821803 Kd = 10600.0 nM 4.97
CHEMBL1821813 Kd = 14200.0 nM 4.85
CHEMBL1821802 Kd = 22600.0 nM 4.65
CHEMBL1821809 Kd = 38400.0 nM 4.42
CHEMBL1821801 Kd = 38800.0 nM 4.41
CHEMBL1821800 Kd = 209000.0 nM 3.68
CHEMBL189197 Kd = 266000.0 nM 3.58
CHEMBL1821799 Kd = 266000.0 nM 3.58
CHEMBL1821807 Kd = 296000.0 nM 3.53
CHEMBL1821798 Kd = 540000.0 nM 3.27
CHEMBL61236 Kd = 900000.0 nM 3.05
CHEMBL1821806 Kd = 2000000.0 nM 2.70
CHEMBL1821811 Kd - -
CHEMBL1821812 Kd - -