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Assay Detail

CHEMBL839581

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

ADMET
Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6
ChEMBL ↗
60
Total Activities
60
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Expert

Target

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

Publication

5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6.
Denton TT, Zhang X, Cashman JR.
J Med Chem (2005) 48 : 224 -239
PubMed 15634016 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 60 5.80 7.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL359657 — — 1 7.70
CHEMBL178090 — — 1 7.40
CHEMBL360541 — — 1 7.05
CHEMBL179669 — — 1 7.00
CHEMBL179399 — — 1 6.89
CHEMBL360999 — — 1 6.89
CHEMBL362062 — — 1 6.77
CHEMBL178781 — — 1 6.77
CHEMBL369285 — — 1 6.75
CHEMBL179621 — — 1 6.68
CHEMBL361153 — — 1 6.66
CHEMBL178780 — — 1 6.64
CHEMBL178534 — — 1 6.62
CHEMBL368883 — — 1 6.60
CHEMBL179704 — — 1 6.60
CHEMBL178516 — — 1 6.60
CHEMBL178938 — — 1 6.55
CHEMBL361364 — — 1 6.28
CHEMBL179529 — — 1 6.23
CHEMBL179477 — — 1 6.21
CHEMBL178547 — — 1 6.15
CHEMBL179398 — — 1 6.10
CHEMBL149808 — — 1 6.05
CHEMBL179005 — — 1 6.01
CHEMBL179763 — — 1 5.96
CHEMBL179618 — — 1 5.92
CHEMBL178711 — — 1 5.92
CHEMBL362702 — — 1 5.85
CHEMBL178946 — — 1 5.85
CHEMBL179566 — — 1 5.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL359657 — Ki = 20.0 nM 7.70
CHEMBL178090 — Ki = 40.0 nM 7.40
CHEMBL360541 — Ki = 90.0 nM 7.05
CHEMBL179669 — Ki = 100.0 nM 7.00
CHEMBL179399 — Ki = 130.0 nM 6.89
CHEMBL360999 — Ki = 130.0 nM 6.89
CHEMBL362062 — Ki = 170.0 nM 6.77
CHEMBL178781 — Ki = 170.0 nM 6.77
CHEMBL369285 — Ki = 180.0 nM 6.75
CHEMBL179621 — Ki = 210.0 nM 6.68
CHEMBL361153 — Ki = 220.0 nM 6.66
CHEMBL178780 — Ki = 230.0 nM 6.64
CHEMBL178534 — Ki = 240.0 nM 6.62
CHEMBL179704 — Ki = 250.0 nM 6.60
CHEMBL368883 — Ki = 250.0 nM 6.60
CHEMBL178516 — Ki = 250.0 nM 6.60
CHEMBL178938 — Ki = 280.0 nM 6.55
CHEMBL361364 — Ki = 520.0 nM 6.28
CHEMBL179529 — Ki = 590.0 nM 6.23
CHEMBL179477 — Ki = 620.0 nM 6.21
CHEMBL178547 — Ki = 710.0 nM 6.15
CHEMBL179398 — Ki = 790.0 nM 6.10
CHEMBL149808 — Ki = 890.0 nM 6.05
CHEMBL179005 — Ki = 970.0 nM 6.01
CHEMBL179763 — Ki = 1100.0 nM 5.96
CHEMBL179618 — Ki = 1200.0 nM 5.92
CHEMBL178711 — Ki = 1200.0 nM 5.92
CHEMBL362702 — Ki = 1400.0 nM 5.85
CHEMBL178946 — Ki = 1400.0 nM 5.85
CHEMBL179566 — Ki = 1500.0 nM 5.82
CHEMBL178196 — Ki = 1500.0 nM 5.82
CHEMBL178878 — Ki = 1800.0 nM 5.75
CHEMBL425519 — Ki = 2600.0 nM 5.58
CHEMBL179589 — Ki = 2700.0 nM 5.57
CHEMBL362231 — Ki = 2800.0 nM 5.55
CHEMBL368434 — Ki = 3200.0 nM 5.50
CHEMBL3 NICOTINE Ki = 4400.0 nM 5.36
CHEMBL178527 — Ki = 4500.0 nM 5.35
CHEMBL359736 — Ki = 5100.0 nM 5.29
CHEMBL180524 — Ki = 5600.0 nM 5.25
CHEMBL360779 — Ki = 6200.0 nM 5.21
CHEMBL156679 — Ki = 6300.0 nM 5.20
CHEMBL179628 — Ki = 6600.0 nM 5.18
CHEMBL178348 [2,3'']Bipyridinyl Ki = 7700.0 nM 5.11
CHEMBL368048 — Ki = 9800.0 nM 5.01
CHEMBL179544 — Ki = 9700.0 nM 5.01
CHEMBL179962 — Ki = 11000.0 nM 4.96
CHEMBL178330 — Ki = 13700.0 nM 4.86
CHEMBL179610 — Ki = 19700.0 nM 4.71
CHEMBL361969 — Ki = 22200.0 nM 4.65