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Assay Detail

CHEMBL3268869

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

Binding
Binding affinity to sarin-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman method
11
Total Activities
11
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

Synthesis and in vitro evaluation of bis-quaternary 2-(hydroxyimino)-N-(pyridin-3-yl)acetamide derivatives as reactivators against sarin and VX inhibited human acetylcholinesterase (hAChE).
Karade HN, Valiveti AK, Acharya J, Kaushik MP.
Bioorg Med Chem (2014) 22 : 2684 -2691
PubMed 24721830 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 11 4.49 5.07

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3261992 1 5.07
CHEMBL3261990 1 4.68
CHEMBL291233 OBIDOXIME CHLORIDE 2.0 1 4.67
CHEMBL3261988 1 4.61
CHEMBL748 PRALIDOXIME CHLORIDE 4.0 1 4.59
CHEMBL3261987 1 4.52
CHEMBL3261984 1 4.37
CHEMBL3261991 1 4.32
CHEMBL3261986 1 4.28
CHEMBL3261985 1 4.24
CHEMBL3261989 1 4.07

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3261992 Kd = 8550.0 nM 5.07
CHEMBL3261990 Kd = 20820.0 nM 4.68
CHEMBL291233 OBIDOXIME CHLORIDE Kd = 21480.0 nM 4.67
CHEMBL3261988 Kd = 24390.0 nM 4.61
CHEMBL748 PRALIDOXIME CHLORIDE Kd = 25720.0 nM 4.59
CHEMBL3261987 Kd = 30230.0 nM 4.52
CHEMBL3261984 Kd = 42860.0 nM 4.37
CHEMBL3261991 Kd = 48380.0 nM 4.32
CHEMBL3261986 Kd = 52320.0 nM 4.28
CHEMBL3261985 Kd = 57960.0 nM 4.24
CHEMBL3261989 Kd = 84290.0 nM 4.07