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Assay Detail

CHEMBL2014639

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

Binding
Binding affinity to BACE1 by NMR-based differential chemical shift perturbation method
7
Total Activities
7
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

Fragment based drug discovery: practical implementation based on ¹⁹F NMR spectroscopy.
Jordan JB, Poppe L, Xia X, Cheng AC, Sun Y, Michelsen K, Eastwood H, Schnier PD, Nixey T, Zhong W.
J Med Chem (2012) 55 : 678 -687
PubMed 22165820 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 7 3.39 3.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2011278 1 3.70
CHEMBL2011271 1 3.46
CHEMBL1981917 1 3.40
CHEMBL185917 1 3.00
CHEMBL2011272 1 -
CHEMBL2011273 1 -
CHEMBL2011279 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2011278 Kd = 200000.0 nM 3.70
CHEMBL2011271 Kd = 350000.0 nM 3.46
CHEMBL1981917 Kd = 400000.0 nM 3.40
CHEMBL185917 Kd = 1000000.0 nM 3.00
CHEMBL2011272 Kd > 1000000.0 nM -
CHEMBL2011273 Kd > 1000000.0 nM -
CHEMBL2011279 Kd > 1000000.0 nM -