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Assay Detail

CHEMBL3369130

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Binding
Inhibition of human AChE
29
Total Activities
15
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

Acetylcholinesterase (CHEMBL220)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Amine substitution of quinazolinones leads to selective nanomolar AChE inhibitors with 'inverted' binding mode.
Darras FH, Wehle S, Huang G, Sotriffer CA, Decker M.
Bioorg Med Chem (2014) 22 : 4867 -4881
PubMed 25047936 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 29 6.10 7.47

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3323035 1 7.47
CHEMBL95 TACRINE 4.0 2 7.15
CHEMBL3323036 2 6.85
CHEMBL3323039 2 6.70
CHEMBL3323042 2 6.67
CHEMBL3323059 2 6.65
CHEMBL3323046 2 6.27
CHEMBL3323043 2 6.17
CHEMBL3323065 2 6.09
CHEMBL3323053 2 5.97
CHEMBL3323056 2 5.92
CHEMBL3323062 2 5.82
CHEMBL3323049 2 5.38
CHEMBL3323068 2 4.92
CHEMBL3323051 2 4.25

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3323035 IC50 = 33.9 nM 7.47
CHEMBL95 TACRINE IC50 = 71.5 nM 7.15
CHEMBL95 TACRINE IC50 = 71.61 nM 7.14
CHEMBL3323036 IC50 = 142.0 nM 6.85
CHEMBL3323036 IC50 = 142.89 nM 6.84
CHEMBL3323039 IC50 = 200.0 nM 6.70
CHEMBL3323039 IC50 = 200.91 nM 6.70
CHEMBL3323042 IC50 = 216.0 nM 6.67
CHEMBL3323042 IC50 = 216.77 nM 6.66
CHEMBL3323059 IC50 = 224.91 nM 6.65
CHEMBL3323059 IC50 = 225.0 nM 6.65
CHEMBL3323046 IC50 = 534.56 nM 6.27
CHEMBL3323046 IC50 = 535.0 nM 6.27
CHEMBL3323043 IC50 = 669.88 nM 6.17
CHEMBL3323043 IC50 = 669.0 nM 6.17
CHEMBL3323065 IC50 = 820.35 nM 6.09
CHEMBL3323065 IC50 = 820.0 nM 6.09
CHEMBL3323053 IC50 = 1081.43 nM 5.97
CHEMBL3323053 IC50 = 1100.0 nM 5.96
CHEMBL3323056 IC50 = 1200.0 nM 5.92
CHEMBL3323056 IC50 = 1244.51 nM 5.91
CHEMBL3323062 IC50 = 1500.0 nM 5.82
CHEMBL3323062 IC50 = 1531.09 nM 5.82
CHEMBL3323049 IC50 = 4200.0 nM 5.38
CHEMBL3323049 IC50 = 4178.3 nM 5.38
CHEMBL3323068 IC50 = 12100.0 nM 4.92
CHEMBL3323068 IC50 = 12078.14 nM 4.92
CHEMBL3323051 IC50 = 56500.0 nM 4.25
CHEMBL3323051 IC50 = 56493.7 nM 4.25