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Assay Detail

CHEMBL4014746

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

ADMET
Inhibition of recombinant human CYP1A1 expressed in yeast cells using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate by fluorescence assay
7
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cytochrome P450 1A1 (CHEMBL2231)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Quinazoline derivatives as selective CYP1B1 inhibitors.
Mohd Siddique MU, McCann GJ, Sonawane VR, Horley N, Gatchie L, Joshi P, Bharate SB, Jayaprakash V, Sinha BN, Chaudhuri B.
Eur J Med Chem (2017) 130 : 320 -327
PubMed 28259840 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 7 5.69 6.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4074105 1 6.10
CHEMBL4100866 1 5.96
CHEMBL2058057 1 5.82
CHEMBL3289112 1 5.46
CHEMBL4084413 1 5.42
CHEMBL4081914 1 5.40
CHEMBL283196 ALPHA-NAPHTHOFLAVONE 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4074105 IC50 = 790.0 nM 6.10
CHEMBL4100866 IC50 = 1100.0 nM 5.96
CHEMBL2058057 IC50 = 1500.0 nM 5.82
CHEMBL3289112 IC50 = 3500.0 nM 5.46
CHEMBL4084413 IC50 = 3800.0 nM 5.42
CHEMBL4081914 IC50 = 4000.0 nM 5.40
CHEMBL283196 ALPHA-NAPHTHOFLAVONE IC50 > 10000.0 nM -