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Assay Detail

CHEMBL3862298

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

Binding
Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Ellman's method
11
Total Activities
10
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cholinesterase (CHEMBL1914)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Donepezil-like multifunctional agents: Design, synthesis, molecular modeling and biological evaluation.
Wu MY, Esteban G, Brogi S, Shionoya M, Wang L, Campiani G, Unzeta M, Inokuchi T, Butini S, Marco-Contelles J.
Eur J Med Chem (2016) 121 : 864 -879
PubMed 26471320 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 7.05 8.70
Ki 1 7.28 7.28

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3972214 1 8.70
CHEMBL3961103 1 7.64
CHEMBL3901082 1 7.52
CHEMBL3910142 2 7.41
CHEMBL3931599 1 7.19
CHEMBL3892118 1 7.10
CHEMBL3291019 1 5.68
CHEMBL502 DONEPEZIL 4.0 1 5.12
CHEMBL8706 CLORGILINE 2.0 1 -
CHEMBL972 SELEGILINE 4.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3972214 IC50 = 2.0 nM 8.70
CHEMBL3961103 IC50 = 23.0 nM 7.64
CHEMBL3901082 IC50 = 30.0 nM 7.52
CHEMBL3910142 IC50 = 39.0 nM 7.41
CHEMBL3910142 Ki = 52.0 nM 7.28
CHEMBL3931599 IC50 = 64.0 nM 7.19
CHEMBL3892118 IC50 = 79.0 nM 7.10
CHEMBL3291019 IC50 = 2100.0 nM 5.68
CHEMBL502 DONEPEZIL IC50 = 7500.0 nM 5.12
CHEMBL8706 CLORGILINE IC50 > 500000.0 nM -
CHEMBL972 SELEGILINE IC50 > 500000.0 nM -