Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL3705713

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

Binding
Inhibition Assay: The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay (Greenlee et al., J Pharmacol Exp Ther, 1978). Our first studies were with highly purified human CYP2A6 that provided a convenient and relatively high-throughput measure of CYP2A6 inhibition.
ChEMBL ↗
113
Total Activities
89
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

Cytochrome P450 2A6 (CHEMBL5282) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthetic compounds and derivatives as modulators of smoking or nicotine ingestion and lung cancer
(2013)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 113 5.25 7.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3640770 — — 3 7.70
CHEMBL3989843 TRANYLCYPROMINE 4.0 3 7.10
CHEMBL359657 — — 2 6.76
CHEMBL178090 — — 2 6.57
CHEMBL3640764 — — 7 6.48
CHEMBL179477 — — 3 6.44
CHEMBL3640765 — — 3 6.44
CHEMBL360541 — — 1 6.29
CHEMBL179669 — — 1 6.21
CHEMBL360999 — — 1 6.13
CHEMBL3640760 — — 1 6.00
CHEMBL369285 — — 1 5.96
CHEMBL179621 — — 1 5.89
CHEMBL361153 — — 1 5.86
CHEMBL178780 — — 1 5.86
CHEMBL368883 — — 1 5.82
CHEMBL178516 — — 2 5.82
CHEMBL3640761 — — 1 5.79
CHEMBL178938 — — 1 5.78
CHEMBL179704 — — 2 5.73
CHEMBL3640786 — — 1 5.71
CHEMBL1522291 NICOTYRINE — 1 5.66
CHEMBL179618 — — 3 5.52
CHEMBL361364 — — 1 5.50
CHEMBL3640762 — — 1 5.46
CHEMBL1373373 — — 1 5.38
CHEMBL3640785 — — 3 5.37
CHEMBL179398 — — 1 5.32
CHEMBL149808 — — 1 5.27
CHEMBL3640763 — — 1 5.24

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3640770 — IC50 = 20.0 nM 7.70
CHEMBL3989843 TRANYLCYPROMINE IC50 = 80.0 nM 7.10
CHEMBL359657 — IC50 = 172.0 nM 6.76
CHEMBL178090 — IC50 = 268.0 nM 6.57
CHEMBL3640764 — IC50 = 330.0 nM 6.48
CHEMBL3640765 — IC50 = 360.0 nM 6.44
CHEMBL179477 — IC50 = 360.0 nM 6.44
CHEMBL360541 — IC50 = 514.0 nM 6.29
CHEMBL179669 — IC50 = 622.0 nM 6.21
CHEMBL360999 — IC50 = 748.0 nM 6.13
CHEMBL3989843 TRANYLCYPROMINE IC50 = 970.0 nM 6.01
CHEMBL3989843 TRANYLCYPROMINE IC50 = 970.0 nM 6.01
CHEMBL3640760 — IC50 = 1000.0 nM 6.00
CHEMBL179477 — IC50 = 1020.0 nM 5.99
CHEMBL3640764 — IC50 = 1020.0 nM 5.99
CHEMBL369285 — IC50 = 1100.0 nM 5.96
CHEMBL179621 — IC50 = 1290.0 nM 5.89
CHEMBL178780 — IC50 = 1390.0 nM 5.86
CHEMBL361153 — IC50 = 1370.0 nM 5.86
CHEMBL178516 — IC50 = 1510.0 nM 5.82
CHEMBL368883 — IC50 = 1500.0 nM 5.82
CHEMBL178516 — IC50 = 1510.0 nM 5.82
CHEMBL3640761 — IC50 = 1630.0 nM 5.79
CHEMBL178938 — IC50 = 1650.0 nM 5.78
CHEMBL179704 — IC50 = 1850.0 nM 5.73
CHEMBL179704 — IC50 = 1850.0 nM 5.73
CHEMBL3640786 — IC50 = 1930.0 nM 5.71
CHEMBL1522291 NICOTYRINE IC50 = 2200.0 nM 5.66
CHEMBL179618 — IC50 = 3050.0 nM 5.52
CHEMBL361364 — IC50 = 3140.0 nM 5.50
CHEMBL3640762 — IC50 = 3510.0 nM 5.46
CHEMBL179477 — IC50 = 3740.0 nM 5.43
CHEMBL1373373 — IC50 = 4200.0 nM 5.38
CHEMBL3640785 — IC50 = 4240.0 nM 5.37
CHEMBL179398 — IC50 = 4770.0 nM 5.32
CHEMBL3640764 — IC50 = 5210.0 nM 5.28
CHEMBL149808 — IC50 = 5360.0 nM 5.27
CHEMBL3640763 — IC50 = 5770.0 nM 5.24
CHEMBL179005 — IC50 = 5840.0 nM 5.23
CHEMBL3640764 — IC50 = 5900.0 nM 5.23
CHEMBL3640764 — IC50 = 5900.0 nM 5.23
CHEMBL179763 — IC50 = 6600.0 nM 5.18
CHEMBL179763 — IC50 = 6600.0 nM 5.18
CHEMBL359657 — IC50 = 7440.0 nM 5.13
CHEMBL3640765 — IC50 = 7650.0 nM 5.12
CHEMBL3640765 — IC50 = 7650.0 nM 5.12
CHEMBL179618 — IC50 = 7800.0 nM 5.11
CHEMBL179618 — IC50 = 7800.0 nM 5.11
CHEMBL3640766 — IC50 = 8000.0 nM 5.10
CHEMBL362702 — IC50 = 8610.0 nM 5.07