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Assay Detail

CHEMBL3382839

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

ADMET
Inhibition of CYP2C9 (unknown origin) expressed in Escherichia coli bactosomes using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 10 mins by fluorescence assay
2
Total Activities
2
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 2C9 (CHEMBL3397)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

The discovery of I-BET726 (GSK1324726A), a potent tetrahydroquinoline ApoA1 up-regulator and selective BET bromodomain inhibitor.
Gosmini R, Nguyen VL, Toum J, Simon C, Brusq JM, Krysa G, Mirguet O, Riou-Eymard AM, Boursier EV, Trottet L, Bamborough P, Clark H, Chung CW, Cutler L, Demont EH, Kaur R, Lewis AJ, Schilling MB, Soden PE, Taylor S, Walker AL, Walker MD, Prinjha RK, Nicodème E.
J Med Chem (2014) 57 : 8111 -8131
PubMed 25249180 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 2 4.87 4.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2177300 1 4.89
CHEMBL3353992 1 4.85

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2177300 IC50 = 13000.0 nM 4.89
CHEMBL3353992 IC50 = 14000.0 nM 4.85