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Assay Detail

CHEMBL4257759

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

Binding
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate pretreated for 4.5 mins followed by substrate addition and measured after 2.5 mins by Ellman's method
20
Total Activities
20
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

Novel bipharmacophoric inhibitors of the cholinesterases with affinity to the muscarinic receptors M<sub>1</sub> and M<sub>2</sub>.
Messerer R, Dallanoce C, Matera C, Wehle S, Flammini L, Chirinda B, Bock A, Irmen M, Tränkle C, Barocelli E, Decker M, Sotriffer C, De Amici M, Holzgrabe U.
Medchemcomm (2017) 8 : 1346 -1359
PubMed 30108847 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 6.53 9.34

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4291154 1 9.34
CHEMBL32823 1 9.14
CHEMBL4287748 1 8.75
CHEMBL95 TACRINE 4.0 1 8.57
CHEMBL4283298 1 8.29
CHEMBL4289232 1 8.06
CHEMBL4293086 1 6.99
CHEMBL4276885 1 6.69
CHEMBL4279836 1 6.58
CHEMBL4285270 1 6.49
CHEMBL4292521 1 6.46
CHEMBL3121480 1 6.07
CHEMBL4281409 1 5.37
CHEMBL3121475 1 5.19
CHEMBL3121476 1 5.13
CHEMBL4280937 1 5.10
CHEMBL3121477 1 4.97
CHEMBL4292032 1 4.88
CHEMBL382846 1 4.41
CHEMBL4284343 1 4.07

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4291154 IC50 = 0.4571 nM 9.34
CHEMBL32823 IC50 = 0.7244 nM 9.14
CHEMBL4287748 IC50 = 1.778 nM 8.75
CHEMBL95 TACRINE IC50 = 2.692 nM 8.57
CHEMBL4283298 IC50 = 5.129 nM 8.29
CHEMBL4289232 IC50 = 8.71 nM 8.06
CHEMBL4293086 IC50 = 102.33 nM 6.99
CHEMBL4276885 IC50 = 204.17 nM 6.69
CHEMBL4279836 IC50 = 263.03 nM 6.58
CHEMBL4285270 IC50 = 323.59 nM 6.49
CHEMBL4292521 IC50 = 346.74 nM 6.46
CHEMBL3121480 IC50 = 851.14 nM 6.07
CHEMBL4281409 IC50 = 4265.8 nM 5.37
CHEMBL3121475 IC50 = 6456.54 nM 5.19
CHEMBL3121476 IC50 = 7413.1 nM 5.13
CHEMBL4280937 IC50 = 7943.28 nM 5.10
CHEMBL3121477 IC50 = 10715.19 nM 4.97
CHEMBL4292032 IC50 = 13182.57 nM 4.88
CHEMBL382846 IC50 = 38904.51 nM 4.41
CHEMBL4284343 IC50 = 85113.8 nM 4.07