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Assay Detail

CHEMBL4818547

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

ADMET
Inhibition of CYP2C9 in human liver microsomes assessed as reduction in 4'-hydroxy diclofenac level using diclofenac as substrate incubated for 10 mins by LC-MS/MS analysis
7
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cytochrome P450 2C9 (CHEMBL3397)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction.
Beshore DC, Adam GC, Barnard RJO, Burlein C, Gallicchio SN, Holloway MK, Krosky D, Lemaire W, Myers RW, Patel S, Plotkin MA, Powell DA, Rada V, Cox CD, Coleman PJ, Klein DJ, Wolkenberg SE.
ACS Med Chem Lett (2021) 12 : 540 -547
PubMed 33854701 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 7 5.20 5.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4858081 1 5.80
CHEMBL4861270 1 5.60
CHEMBL4872186 1 5.54
CHEMBL4874919 1 5.47
CHEMBL4879154 1 4.46
CHEMBL4851511 1 4.30
CHEMBL4867665 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4858081 IC50 = 1600.0 nM 5.80
CHEMBL4861270 IC50 = 2500.0 nM 5.60
CHEMBL4872186 IC50 = 2900.0 nM 5.54
CHEMBL4874919 IC50 = 3400.0 nM 5.47
CHEMBL4879154 IC50 = 35000.0 nM 4.46
CHEMBL4851511 IC50 = 50000.0 nM 4.30
CHEMBL4867665 IC50 > 50000.0 nM -