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Assay Detail

CHEMBL945890

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

Binding
Inhibition of human AchE
31
Total Activities
31
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Acetylcholinesterase (CHEMBL220)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Multi-target-directed ligands to combat neurodegenerative diseases.
Cavalli A, Bolognesi ML, Minarini A, Rosini M, Tumiatti V, Recanatini M, Melchiorre C.
J Med Chem (2008) 51 : 347 -372
PubMed 18181565 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 30 7.12 10.70
Ki 1 8.59 8.59

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL225567 1 10.70
CHEMBL225198 1 10.22
CHEMBL194823 LIPOCRINE 1 9.60
CHEMBL340427 XANTHOSTIGMINE 1 9.52
CHEMBL134342 THIOCTIC ACID 1 9.00
CHEMBL179455 1 8.81
CHEMBL231160 MEMOQUIN 1 8.59
CHEMBL15056 1 8.59
CHEMBL254016 1 8.48
CHEMBL195241 1 8.39
CHEMBL502 DONEPEZIL 4.0 1 7.64
CHEMBL403260 1 7.44
CHEMBL75121 1 7.35
CHEMBL374184 1 7.35
CHEMBL158946 1 7.22
CHEMBL194372 1 7.00
CHEMBL11805 CAPROCTAMINE 1 6.77
CHEMBL32329 1 6.75
CHEMBL95 TACRINE 4.0 1 6.38
CHEMBL636 RIVASTIGMINE 4.0 1 6.04
CHEMBL257540 1 6.02
CHEMBL364545 1 5.56
CHEMBL356385 1 5.51
CHEMBL109018 1 5.47
CHEMBL590603 1 5.22
CHEMBL19060 BENEXTRAMINE 1 5.14
CHEMBL345124 PROPIDIUM 1 4.49
CHEMBL255230 1 4.36
CHEMBL255231 LADOSTIGIL 2.0 1 4.28
CHEMBL199585 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL225567 IC50 = 0.02 nM 10.70
CHEMBL225198 IC50 = 0.06 nM 10.22
CHEMBL194823 LIPOCRINE IC50 = 0.25 nM 9.60
CHEMBL340427 XANTHOSTIGMINE IC50 = 0.3 nM 9.52
CHEMBL134342 THIOCTIC ACID IC50 = 1.0 nM 9.00
CHEMBL179455 IC50 = 1.55 nM 8.81
CHEMBL231160 MEMOQUIN Ki = 2.6 nM 8.59
CHEMBL15056 IC50 = 2.6 nM 8.59
CHEMBL254016 IC50 = 3.3 nM 8.48
CHEMBL195241 IC50 = 4.1 nM 8.39
CHEMBL502 DONEPEZIL IC50 = 23.0 nM 7.64
CHEMBL403260 IC50 = 36.3 nM 7.44
CHEMBL75121 IC50 = 44.5 nM 7.35
CHEMBL374184 IC50 = 45.0 nM 7.35
CHEMBL158946 IC50 = 60.0 nM 7.22
CHEMBL194372 IC50 = 101.0 nM 7.00
CHEMBL11805 CAPROCTAMINE IC50 = 170.0 nM 6.77
CHEMBL32329 IC50 = 180.0 nM 6.75
CHEMBL95 TACRINE IC50 = 420.0 nM 6.38
CHEMBL636 RIVASTIGMINE IC50 = 920.0 nM 6.04
CHEMBL257540 IC50 = 952.0 nM 6.02
CHEMBL364545 IC50 = 2760.0 nM 5.56
CHEMBL356385 IC50 = 3060.0 nM 5.51
CHEMBL109018 IC50 = 3390.0 nM 5.47
CHEMBL590603 IC50 = 6000.0 nM 5.22
CHEMBL19060 BENEXTRAMINE IC50 = 7240.0 nM 5.14
CHEMBL345124 PROPIDIUM IC50 = 32300.0 nM 4.49
CHEMBL255230 IC50 = 43900.0 nM 4.36
CHEMBL255231 LADOSTIGIL IC50 = 52400.0 nM 4.28
CHEMBL199585 IC50 = 0.008 nM -
CHEMBL41 FLUOXETINE IC50 > 10000.0 nM -