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Assay Detail

CHEMBL3383054

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

Binding
Inhibition of electric eel AChE by Ellman's method
15
Total Activities
15
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

Active compounds from a diverse library of triazolothiadiazole and triazolothiadiazine scaffolds: synthesis, crystal structure determination, cytotoxicity, cholinesterase inhibitory activity, and binding mode analysis.
Khan I, Ibrar A, Zaib S, Ahmad S, Furtmann N, Hameed S, Simpson J, Bajorath J, Iqbal J.
Bioorg Med Chem (2014) 22 : 6163 -6173
PubMed 25257911 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 15 4.74 5.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3338952 1 5.51
CHEMBL502 DONEPEZIL 4.0 1 5.14
CHEMBL3338954 1 4.95
CHEMBL3338949 1 4.86
CHEMBL3338957 1 4.82
CHEMBL3338962 1 4.74
CHEMBL1588892 1 4.67
CHEMBL278020 NEOSTIGMINE 4.0 1 4.55
CHEMBL3338951 1 4.45
CHEMBL3338963 1 4.42
CHEMBL3338947 1 4.42
CHEMBL3338960 1 4.40
CHEMBL3338956 1 -
CHEMBL3338953 1 -
CHEMBL3338946 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3338952 IC50 = 3090.0 nM 5.51
CHEMBL502 DONEPEZIL IC50 = 7230.0 nM 5.14
CHEMBL3338954 IC50 = 11300.0 nM 4.95
CHEMBL3338949 IC50 = 13700.0 nM 4.86
CHEMBL3338957 IC50 = 15100.0 nM 4.82
CHEMBL3338962 IC50 = 18300.0 nM 4.74
CHEMBL1588892 IC50 = 21200.0 nM 4.67
CHEMBL278020 NEOSTIGMINE IC50 = 28300.0 nM 4.55
CHEMBL3338951 IC50 = 35500.0 nM 4.45
CHEMBL3338963 IC50 = 38500.0 nM 4.42
CHEMBL3338947 IC50 = 37700.0 nM 4.42
CHEMBL3338960 IC50 = 39700.0 nM 4.40
CHEMBL3338956 IC50 - -
CHEMBL3338953 IC50 - -
CHEMBL3338946 IC50 - -