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Assay Detail

CHEMBL4391165

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

Binding
Inhibition of human serum BChE using BTCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellman's method
9
Total Activities
9
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cholinesterase (CHEMBL1914)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Oukoloff K, Coquelle N, Bartolini M, Naldi M, Le Guevel R, Bach S, Josselin B, Ruchaud S, Catto M, Pisani L, Denora N, Iacobazzi RM, Silman I, Sussman JL, Buron F, Colletier JP, Jean L, Routier S, Renard PY.
Eur J Med Chem (2019) 168 : 58 -77
PubMed 30798053 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 9 6.89 7.68

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4537026 1 7.68
CHEMBL95 TACRINE 4.0 1 7.47
CHEMBL4593316 1 7.18
CHEMBL4516356 1 6.77
CHEMBL4583650 1 6.73
CHEMBL4446287 1 6.69
CHEMBL4443468 1 6.59
CHEMBL4559936 1 6.52
CHEMBL4443989 1 6.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4537026 IC50 = 21.1 nM 7.68
CHEMBL95 TACRINE IC50 = 33.5 nM 7.47
CHEMBL4593316 IC50 = 65.7 nM 7.18
CHEMBL4516356 IC50 = 169.0 nM 6.77
CHEMBL4583650 IC50 = 185.0 nM 6.73
CHEMBL4446287 IC50 = 206.0 nM 6.69
CHEMBL4443468 IC50 = 254.0 nM 6.59
CHEMBL4559936 IC50 = 301.0 nM 6.52
CHEMBL4443989 IC50 = 395.0 nM 6.40