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Assay Detail

CHEMBL4009475

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

ADMET
Inhibition of human liver CYP3A4 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence assay
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cytochrome P450 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery and characterization of novel CYP1B1 inhibitors based on heterocyclic chalcones: Overcoming cisplatin resistance in CYP1B1-overexpressing lines.
Horley NJ, Beresford KJ, Chawla T, McCann GJ, Ruparelia KC, Gatchie L, Sonawane VR, Williams IS, Tan HL, Joshi P, Bharate SS, Kumar V, Bharate SB, Chaudhuri B.
Eur J Med Chem (2017) 129 : 159 -174
PubMed 28222316 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 15 4.96 5.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4099058 1 5.89
CHEMBL4072091 1 5.82
CHEMBL4071959 1 5.22
CHEMBL4092737 1 4.97
CHEMBL427692 1 4.96
CHEMBL4087973 1 4.96
CHEMBL2237709 1 4.93
CHEMBL1413330 1 4.92
CHEMBL4065284 1 4.90
CHEMBL4084977 1 4.85
CHEMBL4068333 1 4.82
CHEMBL4059677 1 4.75
CHEMBL4080095 1 4.58
CHEMBL4063333 1 4.55
CHEMBL4063471 1 4.28

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4099058 IC50 = 1280.0 nM 5.89
CHEMBL4072091 IC50 = 1520.0 nM 5.82
CHEMBL4071959 IC50 = 6000.0 nM 5.22
CHEMBL4092737 IC50 = 10600.0 nM 4.97
CHEMBL427692 IC50 = 11000.0 nM 4.96
CHEMBL4087973 IC50 = 11100.0 nM 4.96
CHEMBL2237709 IC50 = 11800.0 nM 4.93
CHEMBL1413330 IC50 = 12000.0 nM 4.92
CHEMBL4065284 IC50 = 12500.0 nM 4.90
CHEMBL4084977 IC50 = 14000.0 nM 4.85
CHEMBL4068333 IC50 = 15000.0 nM 4.82
CHEMBL4059677 IC50 = 18000.0 nM 4.75
CHEMBL4080095 IC50 = 26000.0 nM 4.58
CHEMBL4063333 IC50 = 28000.0 nM 4.55
CHEMBL4063471 IC50 = 53000.0 nM 4.28