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Assay Detail

CHEMBL4727112

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

Binding
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
24
Total Activities
24
Compounds Tested
1
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

Acetylcholinesterase (CHEMBL220)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Centrally Active Multitarget Anti-Alzheimer Agents Derived from the Antioxidant Lead CR-6.
Pérez-Areales FJ,Garrido M,Aso E,Bartolini M,De Simone A,Espargaró A,Ginex T,Sabate R,Pérez B,Andrisano V,Puigoriol-Illamola D,Pallàs M,Luque FJ,Loza MI,Brea J,Ferrer I,Ciruela F,Messeguer A,Muñoz-Torrero D
J Med Chem (2020) 63 : 9360 -9390
PubMed 32706255 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 24 8.04 9.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4751100 1 9.92
CHEMBL4785201 1 9.57
CHEMBL4796461 1 9.36
CHEMBL4797814 1 8.69
CHEMBL4787579 1 8.43
CHEMBL4762419 1 8.42
CHEMBL4798535 1 8.27
CHEMBL4794645 1 8.21
CHEMBL4747041 1 8.16
CHEMBL4789620 1 8.10
CHEMBL4797177 1 8.10
CHEMBL4787251 1 8.08
CHEMBL4747836 1 7.98
CHEMBL4789172 1 7.96
CHEMBL292314 1 7.84
CHEMBL4758624 1 7.32
CHEMBL4757922 1 7.24
CHEMBL4792460 1 7.16
CHEMBL4794549 1 6.96
CHEMBL4749077 1 6.56
CHEMBL95 TACRINE 4.0 1 6.50
CHEMBL4755403 1 -
CHEMBL4747354 1 -
CHEMBL4796696 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4751100 IC50 = 0.12 nM 9.92
CHEMBL4785201 IC50 = 0.27 nM 9.57
CHEMBL4796461 IC50 = 0.44 nM 9.36
CHEMBL4797814 IC50 = 2.05 nM 8.69
CHEMBL4787579 IC50 = 3.69 nM 8.43
CHEMBL4762419 IC50 = 3.8 nM 8.42
CHEMBL4798535 IC50 = 5.43 nM 8.27
CHEMBL4794645 IC50 = 6.23 nM 8.21
CHEMBL4747041 IC50 = 6.99 nM 8.16
CHEMBL4789620 IC50 = 7.89 nM 8.10
CHEMBL4797177 IC50 = 7.94 nM 8.10
CHEMBL4787251 IC50 = 8.35 nM 8.08
CHEMBL4747836 IC50 = 10.4 nM 7.98
CHEMBL4789172 IC50 = 11.0 nM 7.96
CHEMBL292314 IC50 = 14.5 nM 7.84
CHEMBL4758624 IC50 = 47.9 nM 7.32
CHEMBL4757922 IC50 = 57.8 nM 7.24
CHEMBL4792460 IC50 = 69.8 nM 7.16
CHEMBL4794549 IC50 = 111.0 nM 6.96
CHEMBL4749077 IC50 = 275.0 nM 6.56
CHEMBL95 TACRINE IC50 = 320.0 nM 6.50
CHEMBL4755403 IC50 - -
CHEMBL4747354 IC50 - -
CHEMBL4796696 IC50 = 101000.0 nM -