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Assay Detail

CHEMBL4391928

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

Binding
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured over 2 mins by UV-Vis spectrophotometric analysis based Ellman's method
31
Total Activities
31
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

Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Chalupova K, Korabecny J, Bartolini M, Monti B, Lamba D, Caliandro R, Pesaresi A, Brazzolotto X, Gastellier AJ, Nachon F, Pejchal J, Jarosova M, Hepnarova V, Jun D, Hrabinova M, Dolezal R, Zdarova Karasova J, Mzik M, Kristofikova Z, Misik J, Muckova L, Jost P, Soukup O, Benkova M, Setnicka V, Habartova L, Chvojkova M, Kleteckova L, Vales K, Mezeiova E, Uliassi E, Valis M, Nepovimova E, Bolognesi ML, Kuca K.
Eur J Med Chem (2019) 168 : 491 -514
PubMed 30851693 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 31 6.96 8.41

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4540429 1 8.41
CHEMBL4589980 1 8.11
CHEMBL4556281 1 8.04
CHEMBL4559593 1 7.89
CHEMBL4556575 1 7.64
CHEMBL4559477 1 7.60
CHEMBL4438120 1 7.40
CHEMBL4555818 1 7.28
CHEMBL4467355 1 7.26
CHEMBL4459500 1 7.25
CHEMBL4456435 1 7.19
CHEMBL4563209 1 7.13
CHEMBL4586157 1 7.11
CHEMBL95 TACRINE 4.0 1 7.10
CHEMBL4552440 1 6.92
CHEMBL4459416 1 6.91
CHEMBL4582203 1 6.89
CHEMBL4466307 1 6.85
CHEMBL4541558 1 6.85
CHEMBL4449083 1 6.85
CHEMBL4448188 1 6.75
CHEMBL4472570 1 6.72
CHEMBL4444822 1 6.47
CHEMBL4538398 1 6.32
CHEMBL4475391 1 6.28
CHEMBL3356536 1 6.27
CHEMBL4556372 1 5.75
CHEMBL292314 1 5.75
CHEMBL1256415 1 4.75
CHEMBL4580660 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4540429 IC50 = 3.9 nM 8.41
CHEMBL4589980 IC50 = 7.8 nM 8.11
CHEMBL4556281 IC50 = 9.1 nM 8.04
CHEMBL4559593 IC50 = 13.0 nM 7.89
CHEMBL4556575 IC50 = 23.0 nM 7.64
CHEMBL4559477 IC50 = 25.0 nM 7.60
CHEMBL4438120 IC50 = 40.0 nM 7.40
CHEMBL4555818 IC50 = 52.0 nM 7.28
CHEMBL4467355 IC50 = 55.0 nM 7.26
CHEMBL4459500 IC50 = 56.0 nM 7.25
CHEMBL4456435 IC50 = 64.0 nM 7.19
CHEMBL4563209 IC50 = 74.0 nM 7.13
CHEMBL4586157 IC50 = 78.0 nM 7.11
CHEMBL95 TACRINE IC50 = 80.0 nM 7.10
CHEMBL4552440 IC50 = 120.0 nM 6.92
CHEMBL4459416 IC50 = 123.0 nM 6.91
CHEMBL4582203 IC50 = 130.0 nM 6.89
CHEMBL4466307 IC50 = 140.0 nM 6.85
CHEMBL4541558 IC50 = 140.0 nM 6.85
CHEMBL4449083 IC50 = 140.0 nM 6.85
CHEMBL4448188 IC50 = 180.0 nM 6.75
CHEMBL4472570 IC50 = 190.0 nM 6.72
CHEMBL4444822 IC50 = 340.0 nM 6.47
CHEMBL4538398 IC50 = 480.0 nM 6.32
CHEMBL4475391 IC50 = 520.0 nM 6.28
CHEMBL3356536 IC50 = 540.0 nM 6.27
CHEMBL4556372 IC50 = 1800.0 nM 5.75
CHEMBL292314 IC50 = 1800.0 nM 5.75
CHEMBL1256415 IC50 = 18000.0 nM 4.75
CHEMBL4580660 IC50 - -
CHEMBL3957176 IC50 - -