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Assay Detail

CHEMBL4836813

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

ADMET
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by addition of substrate and measured after 15 mins by Ellman's method
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Equus caballus
Tissue Serum
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cholinesterase (CHEMBL5763)
Type SINGLE PROTEIN
Organism Equus caballus

Publication

Novel hydroxybenzylamine-deoxyvasicinone hybrids as anticholinesterase therapeutics for Alzheimer's disease.
Bowroju SK, Penthala NR, Lakkaniga NR, Balasubramaniam M, Ayyadevara S, Shmookler Reis RJ, Crooks PA.
Bioorg Med Chem (2021) 45 : 116311 -116311
PubMed 34304133 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 4.72 4.84

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4860689 1 4.84
CHEMBL4852660 1 4.81
CHEMBL4874834 1 4.79
CHEMBL4870217 1 4.79
CHEMBL4846102 1 4.74
CHEMBL4849288 1 4.73
CHEMBL4861468 1 4.70
CHEMBL4875354 1 4.69
CHEMBL4856085 1 4.69
CHEMBL4871074 1 4.68
CHEMBL4853059 1 4.68
CHEMBL4876164 1 4.67
CHEMBL4871454 1 4.67
CHEMBL4879281 1 4.67
CHEMBL456881 DEOXYVASICINONE 1 4.60
CHEMBL497 CLIOQUINOL 4.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4860689 IC50 = 14600.0 nM 4.84
CHEMBL4852660 IC50 = 15380.0 nM 4.81
CHEMBL4874834 IC50 = 16050.0 nM 4.79
CHEMBL4870217 IC50 = 16180.0 nM 4.79
CHEMBL4846102 IC50 = 18190.0 nM 4.74
CHEMBL4849288 IC50 = 18470.0 nM 4.73
CHEMBL4861468 IC50 = 19860.0 nM 4.70
CHEMBL4875354 IC50 = 20520.0 nM 4.69
CHEMBL4856085 IC50 = 20420.0 nM 4.69
CHEMBL4871074 IC50 = 20920.0 nM 4.68
CHEMBL4853059 IC50 = 20820.0 nM 4.68
CHEMBL4876164 IC50 = 21650.0 nM 4.67
CHEMBL4871454 IC50 = 21490.0 nM 4.67
CHEMBL4879281 IC50 = 21600.0 nM 4.67
CHEMBL456881 DEOXYVASICINONE IC50 = 25000.0 nM 4.60
CHEMBL497 CLIOQUINOL IC50 - -