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Assay Detail

CHEMBL1102238

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

ADMET
Inhibition of CYP3A4 after 20 mins by BFC fluorescence assay
17
Total Activities
17
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 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

SAR of PXR transactivation in benzimidazole-based IGF-1R kinase inhibitors.
Zimmermann K, Wittman MD, Saulnier MG, Velaparthi U, Sang X, Frennesson DB, Struzynski C, Seitz SP, He L, Carboni JM, Li A, Greer AF, Gottardis M, Attar RM, Yang Z, Balimane P, Discenza LN, Lee FY, Sinz M, Kim S, Vyas D.
Bioorg Med Chem Lett (2010) 20 : 1744 -1748
PubMed 20153189 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 5.71 6.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1077339 1 6.30
CHEMBL401930 1 6.30
CHEMBL1077343 1 6.16
CHEMBL1078891 1 6.10
CHEMBL1077340 1 6.00
CHEMBL482126 1 5.77
CHEMBL256072 1 5.72
CHEMBL401766 1 5.68
CHEMBL1097357 1 5.52
CHEMBL1097358 1 5.46
CHEMBL1077324 1 4.80
CHEMBL1078892 1 4.75
CHEMBL480966 1 -
CHEMBL1077325 1 -
CHEMBL505919 1 -
CHEMBL482101 1 -
CHEMBL1078991 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1077339 IC50 = 500.0 nM 6.30
CHEMBL401930 IC50 = 500.0 nM 6.30
CHEMBL1077343 IC50 = 700.0 nM 6.16
CHEMBL1078891 IC50 = 800.0 nM 6.10
CHEMBL1077340 IC50 = 1000.0 nM 6.00
CHEMBL482126 IC50 = 1700.0 nM 5.77
CHEMBL256072 IC50 = 1900.0 nM 5.72
CHEMBL401766 IC50 = 2100.0 nM 5.68
CHEMBL1097357 IC50 = 3000.0 nM 5.52
CHEMBL1097358 IC50 = 3500.0 nM 5.46
CHEMBL1077324 IC50 = 16000.0 nM 4.80
CHEMBL1078892 IC50 = 18000.0 nM 4.75
CHEMBL480966 IC50 = 700.0 nM -
CHEMBL1077325 IC50 > 13000.0 nM -
CHEMBL505919 IC50 = 3500.0 nM -
CHEMBL482101 IC50 = 700.0 nM -
CHEMBL1078991 IC50 > 4400.0 nM -