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Assay Detail

CHEMBL648291

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Binding
Inhibition of acetylcholinesterase.
16
Total Activities
16
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

QSAR analyses of the substituted indanone and benzylpiperidine rings of a series of indanone-benzylpiperidine inhibitors of acetylcholinesterase.
Cardozo MG, Iimura Y, Sugimoto H, Yamanishi Y, Hopfinger AJ.
J Med Chem (1992) 35 : 584 -589
PubMed 1738151 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 7.45 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL345698 1 9.00
CHEMBL16645 p-CRESOL 1 8.74
CHEMBL286727 M-XYLENE 1 8.70
CHEMBL114059 1 8.40
CHEMBL9113 TOLUENE 2.0 1 8.28
CHEMBL346605 1 8.02
CHEMBL352215 1 8.02
CHEMBL45005 O-XYLENE 1 8.00
CHEMBL58521 1 7.44
CHEMBL31561 P-XYLENE 1 7.40
CHEMBL298312 METACRESOL -1.0 1 7.34
CHEMBL155320 4-NITROTOLUENE 1 7.00
CHEMBL349791 1 6.66
CHEMBL154155 1 5.44
CHEMBL273904 1 5.40
CHEMBL156710 1 5.31

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL345698 IC50 = 1.0 nM 9.00
CHEMBL16645 p-CRESOL IC50 = 1.82 nM 8.74
CHEMBL286727 M-XYLENE IC50 = 1.995 nM 8.70
CHEMBL114059 IC50 = 3.981 nM 8.40
CHEMBL9113 TOLUENE IC50 = 5.248 nM 8.28
CHEMBL346605 IC50 = 9.55 nM 8.02
CHEMBL352215 IC50 = 9.55 nM 8.02
CHEMBL45005 O-XYLENE IC50 = 10.0 nM 8.00
CHEMBL58521 IC50 = 36.31 nM 7.44
CHEMBL31561 P-XYLENE IC50 = 39.81 nM 7.40
CHEMBL298312 METACRESOL IC50 = 45.71 nM 7.34
CHEMBL155320 4-NITROTOLUENE IC50 = 100.0 nM 7.00
CHEMBL349791 IC50 = 218.78 nM 6.66
CHEMBL154155 IC50 = 3630.78 nM 5.44
CHEMBL273904 IC50 = 3981.07 nM 5.40
CHEMBL156710 IC50 = 4897.79 nM 5.31