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Assay Detail

CHEMBL5043230

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

ADMET
Inhibition of CYP2C9 (unknown origin)
4
Total Activities
4
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

Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
Hopkins BT, Bame E, Bajrami B, Black C, Bohnert T, Boiselle C, Burdette D, Burns JC, Delva L, Donaldson D, Grater R, Gu C, Hoemberger M, Johnson J, Kapadnis S, King K, Lulla M, Ma B, Marx I, Magee T, Meissner R, Metrick CM, Mingueneau M, Murugan P, Otipoby KL, Polack E, Poreci U, Prince R, Roach AM, Rowbottom C, Santoro JC, Schroeder P, Tang H, Tien E, Zhang F, Lyssikatos J.
J Med Chem (2022) 65 : 1206 -1224
PubMed 34734694 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 4 5.78 6.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5076817 1 6.40
CHEMBL5085931 1 5.70
CHEMBL5080861 1 5.60
CHEMBL5089327 1 5.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5076817 IC50 = 400.0 nM 6.40
CHEMBL5085931 IC50 = 2000.0 nM 5.70
CHEMBL5080861 IC50 = 2500.0 nM 5.60
CHEMBL5089327 IC50 = 4000.0 nM 5.40