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Assay Detail

CHEMBL3129498

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

Binding
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 25 mins by Ellman's method
21
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Equus caballus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cholinesterase (CHEMBL5763)
Type SINGLE PROTEIN
Organism Equus caballus

Publication

Design, synthesis, pharmacological evaluation, QSAR analysis, molecular modeling and ADMET of novel donepezil-indolyl hybrids as multipotent cholinesterase/monoamine oxidase inhibitors for the potential treatment of Alzheimer's disease.
Bautista-Aguilera OM, Esteban G, Bolea I, Nikolic K, Agbaba D, Moraleda I, Iriepa I, Samadi A, Soriano E, Unzeta M, Marco-Contelles J.
Eur J Med Chem (2014) 75 : 82 -95
PubMed 24530494 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 5.99 6.54

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3127977 2 6.54
CHEMBL3127968 2 6.34
CHEMBL1929421 1 6.34
CHEMBL3127966 1 6.10
CHEMBL3127967 2 6.08
CHEMBL502 DONEPEZIL 4.0 1 6.08
CHEMBL3127978 2 6.07
CHEMBL3124971 2 4.64
CHEMBL3127976 1 -
CHEMBL3127975 1 -
CHEMBL3127974 1 -
CHEMBL3127973 1 -
CHEMBL3127972 1 -
CHEMBL3127971 1 -
CHEMBL3127970 1 -
CHEMBL3127969 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3127977 IC50 = 289.73 nM 6.54
CHEMBL3127977 IC50 = 290.0 nM 6.54
CHEMBL3127968 IC50 = 460.26 nM 6.34
CHEMBL1929421 IC50 = 460.0 nM 6.34
CHEMBL3127968 IC50 = 460.0 nM 6.34
CHEMBL3127966 IC50 = 790.0 nM 6.10
CHEMBL3127967 IC50 = 829.85 nM 6.08
CHEMBL502 DONEPEZIL IC50 = 840.0 nM 6.08
CHEMBL3127967 IC50 = 830.0 nM 6.08
CHEMBL3127978 IC50 = 850.0 nM 6.07
CHEMBL3127978 IC50 = 849.18 nM 6.07
CHEMBL3124971 IC50 = 22900.0 nM 4.64
CHEMBL3124971 IC50 = 22908.68 nM 4.64
CHEMBL3127971 IC50 > 100000.0 nM -
CHEMBL3127970 IC50 > 100000.0 nM -
CHEMBL3127969 IC50 > 100000.0 nM -
CHEMBL3127972 IC50 > 100000.0 nM -
CHEMBL3127976 IC50 > 100000.0 nM -
CHEMBL3127973 IC50 > 100000.0 nM -
CHEMBL3127974 IC50 > 100000.0 nM -
CHEMBL3127975 IC50 > 100000.0 nM -