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Assay Detail

CHEMBL4843795

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

ADMET
Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using VG as probe substrate incubated for 15 to 60 mins by fluorometric assay
5
Total Activities
5
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 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression.
Jones KL, Beaumont DM, Bernard SG, Bit RA, Campbell SP, Chung CW, Cutler L, Demont EH, Dennis K, Gordon L, Gray JR, Haase MV, Lewis AJ, McCleary S, Mitchell DJ, Moore SM, Parr N, Robb OJ, Smithers N, Soden PE, Suckling CJ, Taylor S, Walker AL, Watson RJ, Prinjha RK.
J Med Chem (2021) 64 : 12200 -12227
PubMed 34387088 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 5 4.90 5.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4874801 1 5.10
CHEMBL2017291 1 5.01
CHEMBL4874356 1 5.00
CHEMBL4874790 1 4.80
CHEMBL4878439 1 4.60

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4874801 IC50 = 7900.0 nM 5.10
CHEMBL2017291 IC50 = 9700.0 nM 5.01
CHEMBL4874356 IC50 = 10000.0 nM 5.00
CHEMBL4874790 IC50 = 15800.0 nM 4.80
CHEMBL4878439 IC50 = 25100.0 nM 4.60