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Assay Detail

CHEMBL4257760

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

Binding
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 4.5 mins followed by substrate addition and measured after 2.5 mins by Ellman's method
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Electrophorus electricus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Acetylcholinesterase (CHEMBL4078)
Type SINGLE PROTEIN
Organism Electrophorus electricus

Publication

Novel bipharmacophoric inhibitors of the cholinesterases with affinity to the muscarinic receptors M<sub>1</sub> and M<sub>2</sub>.
Messerer R, Dallanoce C, Matera C, Wehle S, Flammini L, Chirinda B, Bock A, Irmen M, Tränkle C, Barocelli E, Decker M, Sotriffer C, De Amici M, Holzgrabe U.
Medchemcomm (2017) 8 : 1346 -1359
PubMed 30108847 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 6.94 10.48

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL32823 1 10.48
CHEMBL4287748 1 9.81
CHEMBL4279836 1 9.40
CHEMBL4289232 1 9.25
CHEMBL4291154 1 9.00
CHEMBL4283298 1 8.76
CHEMBL95 TACRINE 4.0 1 7.60
CHEMBL4293086 1 6.50
CHEMBL4285270 1 6.44
CHEMBL4292521 1 6.10
CHEMBL4276885 1 6.04
CHEMBL3121480 1 5.98
CHEMBL3121477 1 5.62
CHEMBL4281409 1 5.26
CHEMBL3121476 1 4.89
CHEMBL3121475 1 4.83
CHEMBL4292032 1 4.80
CHEMBL4280937 1 4.17

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL32823 IC50 = 0.03311 nM 10.48
CHEMBL4287748 IC50 = 0.1549 nM 9.81
CHEMBL4279836 IC50 = 0.3981 nM 9.40
CHEMBL4289232 IC50 = 0.5623 nM 9.25
CHEMBL4291154 IC50 = 1.0 nM 9.00
CHEMBL4283298 IC50 = 1.738 nM 8.76
CHEMBL95 TACRINE IC50 = 25.12 nM 7.60
CHEMBL4293086 IC50 = 316.23 nM 6.50
CHEMBL4285270 IC50 = 363.08 nM 6.44
CHEMBL4292521 IC50 = 794.33 nM 6.10
CHEMBL4276885 IC50 = 912.01 nM 6.04
CHEMBL3121480 IC50 = 1047.13 nM 5.98
CHEMBL3121477 IC50 = 2398.83 nM 5.62
CHEMBL4281409 IC50 = 5495.41 nM 5.26
CHEMBL3121476 IC50 = 12882.5 nM 4.89
CHEMBL3121475 IC50 = 14791.08 nM 4.83
CHEMBL4292032 IC50 = 15848.93 nM 4.80
CHEMBL4280937 IC50 = 67608.3 nM 4.17