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Assay Detail

CHEMBL3390304

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

Binding
Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 10 mins by fluorescence assay
10
Total Activities
6
Compounds Tested
2
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

Rational design of novel CYP2A6 inhibitors.
Tani N, Juvonen RO, Raunio H, Fashe M, Leppänen J, Zhao B, Tyndale RF, Rahnasto-Rilla M.
Bioorg Med Chem (2014) 22 : 6655 -6664
PubMed 25458499 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 6 5.87 6.89
Kinact 4 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3358202 1 6.89
CHEMBL3358204 1 5.82
CHEMBL3358207 2 5.62
CHEMBL3358215 2 5.62
CHEMBL3358216 2 5.62
CHEMBL223708 2 5.62

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3358202 Ki = 130.0 nM 6.89
CHEMBL3358204 Ki = 1500.0 nM 5.82
CHEMBL3358207 Ki = 2400.0 nM 5.62
CHEMBL3358215 Ki = 2400.0 nM 5.62
CHEMBL3358216 Ki = 2400.0 nM 5.62
CHEMBL223708 Ki = 2400.0 nM 5.62
CHEMBL3358207 Kinact = 0.08 /min -
CHEMBL3358215 Kinact = 0.08 /min -
CHEMBL3358216 Kinact = 0.08 /min -
CHEMBL223708 Kinact = 0.08 /min -