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Assay Detail

CHEMBL4035326

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

Binding
Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in presence of NADP+ by spectrofluorometeric analysis
7
Total Activities
7
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 1B1 (CHEMBL4878)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Inhibitors of cytochrome P450 (CYP) 1B1.
Dutour R, Poirier D.
Eur J Med Chem (2017) 135 : 296 -306
PubMed 28458135 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 7 7.23 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL309490 GALANGIN 1 8.52
CHEMBL243664 ACACETIN 1 7.85
CHEMBL76426 1 7.72
CHEMBL294009 FLAVONOL 1 7.05
CHEMBL16807 5-HYDROXYFLAVONE 1 6.68
CHEMBL276915 7-HYDROXYFLAVONE 1 6.60
CHEMBL275638 FLAVONE 2.0 1 6.22

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL309490 GALANGIN IC50 = 3.0 nM 8.52
CHEMBL243664 ACACETIN IC50 = 14.0 nM 7.85
CHEMBL76426 IC50 = 19.0 nM 7.72
CHEMBL294009 FLAVONOL IC50 = 90.0 nM 7.05
CHEMBL16807 5-HYDROXYFLAVONE IC50 = 210.0 nM 6.68
CHEMBL276915 7-HYDROXYFLAVONE IC50 = 250.0 nM 6.60
CHEMBL275638 FLAVONE IC50 = 600.0 nM 6.22