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Assay Detail

CHEMBL1837643

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

ADMET
Inhibition of CYP2C9 using MFC as substrate
7
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

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

Publication

Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.
Guagnano V, Furet P, Spanka C, Bordas V, Le Douget M, Stamm C, Brueggen J, Jensen MR, Schnell C, Schmid H, Wartmann M, Berghausen J, Drueckes P, Zimmerlin A, Bussiere D, Murray J, Graus Porta D.
J Med Chem (2011) 54 : 7066 -7083
PubMed 21936542 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 7 5.59 5.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1834658 1 5.77
CHEMBL1834661 1 5.40
CHEMBL1834663 1 -
CHEMBL1834662 1 -
CHEMBL1834660 1 -
CHEMBL1834659 1 -
CHEMBL1834657 INFIGRATINIB PHOSPHATE 4.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1834658 IC50 = 1700.0 nM 5.77
CHEMBL1834661 IC50 = 4000.0 nM 5.40
CHEMBL1834663 IC50 > 10000.0 nM -
CHEMBL1834662 IC50 > 10000.0 nM -
CHEMBL1834660 IC50 > 10000.0 nM -
CHEMBL1834659 IC50 > 10000.0 nM -
CHEMBL1834657 INFIGRATINIB PHOSPHATE IC50 > 10000.0 nM -