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Assay Detail

CHEMBL638449

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Binding
Inhibitory concentration against acetylcholinesterase from human erythrocytes
26
Total Activities
26
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Acetylcholinesterase (CHEMBL220)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 2. Role of the substituents on the phenyl ring and nitrogen atoms of caproctamine.
Tumiatti V, Rosini M, Bartolini M, Cavalli A, Marucci G, Andrisano V, Angeli P, Banzi R, Minarini A, Recanatini M, Melchiorre C.
J Med Chem (2003) 46 : 954 -966
PubMed 12620072 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 26 7.01 8.09

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL176521 1 8.09
CHEMBL174046 1 7.93
CHEMBL173018 1 7.92
CHEMBL609977 1 7.91
CHEMBL173607 1 7.78
CHEMBL263785 1 7.76
CHEMBL94 PHYSOSTIGMINE 3.0 1 7.75
CHEMBL143055 1 7.74
CHEMBL173309 1 7.73
CHEMBL173935 1 7.71
CHEMBL368075 1 7.47
CHEMBL137059 1 7.43
CHEMBL176585 1 7.31
CHEMBL174228 1 7.25
CHEMBL174710 1 7.14
CHEMBL172442 1 7.11
CHEMBL177052 1 6.95
CHEMBL11805 CAPROCTAMINE 1 6.77
CHEMBL175047 1 6.69
CHEMBL95 TACRINE 4.0 1 6.60
CHEMBL176773 1 6.17
CHEMBL176308 1 6.10
CHEMBL173136 1 5.34
CHEMBL27673 METHOCTRAMINE 1 5.27
CHEMBL79012 1 5.24
CHEMBL19060 BENEXTRAMINE 1 5.14

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL176521 IC50 = 8.128 nM 8.09
CHEMBL174046 IC50 = 11.75 nM 7.93
CHEMBL173018 IC50 = 12.02 nM 7.92
CHEMBL609977 IC50 = 12.3 nM 7.91
CHEMBL173607 IC50 = 16.6 nM 7.78
CHEMBL263785 IC50 = 17.38 nM 7.76
CHEMBL94 PHYSOSTIGMINE IC50 = 17.78 nM 7.75
CHEMBL143055 IC50 = 18.2 nM 7.74
CHEMBL173309 IC50 = 18.62 nM 7.73
CHEMBL173935 IC50 = 19.5 nM 7.71
CHEMBL368075 IC50 = 33.88 nM 7.47
CHEMBL137059 IC50 = 37.15 nM 7.43
CHEMBL176585 IC50 = 48.98 nM 7.31
CHEMBL174228 IC50 = 56.23 nM 7.25
CHEMBL174710 IC50 = 72.44 nM 7.14
CHEMBL172442 IC50 = 77.62 nM 7.11
CHEMBL177052 IC50 = 112.2 nM 6.95
CHEMBL11805 CAPROCTAMINE IC50 = 169.82 nM 6.77
CHEMBL175047 IC50 = 204.17 nM 6.69
CHEMBL95 TACRINE IC50 = 251.19 nM 6.60
CHEMBL176773 IC50 = 676.08 nM 6.17
CHEMBL176308 IC50 = 794.33 nM 6.10
CHEMBL173136 IC50 = 4570.88 nM 5.34
CHEMBL27673 METHOCTRAMINE IC50 = 5370.32 nM 5.27
CHEMBL79012 IC50 = 5754.4 nM 5.24
CHEMBL19060 BENEXTRAMINE IC50 = 7244.36 nM 5.14