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Assay Detail

CHEMBL1119333

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Binding
Inhibition of AChE
ChEMBL ↗
417
Total Activities
417
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Acetylcholinesterase (CHEMBL220) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Prediction of acetylcholinesterase inhibitors and characterization of correlative molecular descriptors by machine learning methods.
Lv W, Xue Y.
Eur J Med Chem (2010) 45 : 1167 -1172
PubMed 20053484 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 417 6.86 10.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1083983 — — 1 10.70
CHEMBL1083984 — — 1 10.22
CHEMBL307004 — — 1 10.15
CHEMBL32823 — — 1 9.70
CHEMBL223443 — — 1 9.70
CHEMBL340427 XANTHOSTIGMINE — 1 9.52
CHEMBL312310 — — 1 9.52
CHEMBL225021 — — 1 9.52
CHEMBL359570 ICOPEZIL 2.0 1 9.48
CHEMBL1083069 — — 1 9.32
CHEMBL389192 — — 1 9.30
CHEMBL427082 — — 1 9.30
CHEMBL1085932 — — 1 9.28
CHEMBL128202 — — 1 9.25
CHEMBL329231 — — 1 9.24
CHEMBL74927 — — 1 9.22
CHEMBL225326 — — 1 9.22
CHEMBL73160 — — 1 9.22
CHEMBL131579 — — 1 9.15
CHEMBL312761 — — 1 9.15
CHEMBL223170 — — 1 9.15
CHEMBL1084544 — — 1 9.15
CHEMBL93936 — — 1 9.10
CHEMBL337999 — — 1 9.09
CHEMBL74940 — — 1 9.05
CHEMBL328468 — — 1 9.02
CHEMBL131827 — — 1 8.96
CHEMBL138107 — — 1 8.92
CHEMBL76173 — — 1 8.89
CHEMBL124933 — — 1 8.85

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1083983 — IC50 = 0.02 nM 10.70
CHEMBL1083984 — IC50 = 0.06 nM 10.22
CHEMBL307004 — IC50 = 0.07 nM 10.15
CHEMBL32823 — IC50 = 0.2 nM 9.70
CHEMBL223443 — IC50 = 0.2 nM 9.70
CHEMBL340427 XANTHOSTIGMINE IC50 = 0.3 nM 9.52
CHEMBL225021 — IC50 = 0.3 nM 9.52
CHEMBL312310 — IC50 = 0.3 nM 9.52
CHEMBL359570 ICOPEZIL IC50 = 0.33 nM 9.48
CHEMBL1083069 — IC50 = 0.48 nM 9.32
CHEMBL427082 — IC50 = 0.5 nM 9.30
CHEMBL389192 — IC50 = 0.5 nM 9.30
CHEMBL1085932 — IC50 = 0.52 nM 9.28
CHEMBL128202 — IC50 = 0.56 nM 9.25
CHEMBL329231 — IC50 = 0.57 nM 9.24
CHEMBL225326 — IC50 = 0.6 nM 9.22
CHEMBL74927 — IC50 = 0.6 nM 9.22
CHEMBL73160 — IC50 = 0.6 nM 9.22
CHEMBL1084544 — IC50 = 0.7 nM 9.15
CHEMBL131579 — IC50 = 0.7 nM 9.15
CHEMBL312761 — IC50 = 0.7 nM 9.15
CHEMBL223170 — IC50 = 0.7 nM 9.15
CHEMBL93936 — IC50 = 0.8 nM 9.10
CHEMBL337999 — IC50 = 0.82 nM 9.09
CHEMBL74940 — IC50 = 0.9 nM 9.05
CHEMBL328468 — IC50 = 0.95 nM 9.02
CHEMBL131827 — IC50 = 1.1 nM 8.96
CHEMBL138107 — IC50 = 1.2 nM 8.92
CHEMBL76173 — IC50 = 1.3 nM 8.89
CHEMBL124933 — IC50 = 1.4 nM 8.85
CHEMBL73800 — IC50 = 1.4 nM 8.85
CHEMBL1085702 — IC50 = 1.49 nM 8.83
CHEMBL1086007 — IC50 = 1.5 nM 8.82
CHEMBL75274 — IC50 = 1.6 nM 8.80
CHEMBL306492 — IC50 = 1.6 nM 8.80
CHEMBL1085938 — IC50 = 1.8 nM 8.74
CHEMBL75985 — IC50 = 1.9 nM 8.72
CHEMBL1085933 — IC50 = 2.09 nM 8.68
CHEMBL364545 — IC50 = 2.09 nM 8.68
CHEMBL1084256 — IC50 = 2.2 nM 8.66
CHEMBL140999 — IC50 = 2.4 nM 8.62
CHEMBL1083488 — IC50 = 2.5 nM 8.60
CHEMBL307908 — IC50 = 2.7 nM 8.57
CHEMBL433678 — IC50 = 2.8 nM 8.55
CHEMBL92736 — IC50 = 2.8 nM 8.55
CHEMBL128260 — IC50 = 2.8 nM 8.55
CHEMBL388551 — IC50 = 2.9 nM 8.54
CHEMBL1083374 — IC50 = 2.99 nM 8.52
CHEMBL1084545 — IC50 = 3.0 nM 8.52
CHEMBL95020 — IC50 = 3.6 nM 8.44