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Assay Detail

CHEMBL4724360

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Binding
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's method
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
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 BuChE-IDO1 inhibitors from sertaconazole: Virtual screening, chemical optimization and molecular modeling studies.
Zhou Y,Lu X,Du C,Liu Y,Wang Y,Hong KH,Chen Y,Sun H
Bioorg Med Chem Lett (2021) 34 : 127756 -127756
PubMed 33359445 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 5.30 7.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4782213 1 7.05
CHEMBL4785129 1 6.00
CHEMBL4740576 1 5.96
CHEMBL4757927 1 5.85
CHEMBL4776465 1 5.41
CHEMBL4744876 1 5.41
CHEMBL4778194 1 5.40
CHEMBL91 MICONAZOLE 4.0 1 5.37
CHEMBL4749685 1 5.24
CHEMBL4740250 1 5.22
CHEMBL4759974 1 5.21
CHEMBL1201196 SERTACONAZOLE 4.0 1 5.13
CHEMBL4782238 1 5.10
CHEMBL4741786 1 5.00
CHEMBL4787968 1 4.95
CHEMBL4792640 1 4.82
CHEMBL4783412 1 4.75
CHEMBL4747120 1 4.50
CHEMBL3318359 1 4.38

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4782213 IC50 = 90.0 nM 7.05
CHEMBL4785129 IC50 = 1000.0 nM 6.00
CHEMBL4740576 IC50 = 1100.0 nM 5.96
CHEMBL4757927 IC50 = 1400.0 nM 5.85
CHEMBL4776465 IC50 = 3900.0 nM 5.41
CHEMBL4744876 IC50 = 3900.0 nM 5.41
CHEMBL4778194 IC50 = 4000.0 nM 5.40
CHEMBL91 MICONAZOLE IC50 = 4300.0 nM 5.37
CHEMBL4749685 IC50 = 5700.0 nM 5.24
CHEMBL4740250 IC50 = 6000.0 nM 5.22
CHEMBL4759974 IC50 = 6200.0 nM 5.21
CHEMBL1201196 SERTACONAZOLE IC50 = 7400.0 nM 5.13
CHEMBL4782238 IC50 = 7900.0 nM 5.10
CHEMBL4741786 IC50 = 10000.0 nM 5.00
CHEMBL4787968 IC50 = 11300.0 nM 4.95
CHEMBL4792640 IC50 = 15100.0 nM 4.82
CHEMBL4783412 IC50 = 17600.0 nM 4.75
CHEMBL4747120 IC50 = 31900.0 nM 4.50
CHEMBL3318359 IC50 = 41700.0 nM 4.38