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Assay Detail

CHEMBL4189503

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

ADMET
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 5 mins by LC-MS/MS analysis
9
Total Activities
9
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Tissue Liver
Subcellular microsomes
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cytochrome P450 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia.
Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.
J Med Chem (2018) 61 : 4348 -4369
PubMed 29683667 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 9 5.33 5.41

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4204438 1 5.41
CHEMBL4208772 1 5.25
CHEMBL4211649 TINODASERTIB 2.0 1 -
CHEMBL4203889 1 -
CHEMBL4213168 1 -
CHEMBL4208246 1 -
CHEMBL4213819 1 -
CHEMBL4216991 1 -
CHEMBL4212480 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4204438 IC50 = 3900.0 nM 5.41
CHEMBL4208772 IC50 = 5600.0 nM 5.25
CHEMBL4211649 TINODASERTIB IC50 > 20000.0 nM -
CHEMBL4203889 IC50 > 20000.0 nM -
CHEMBL4213168 IC50 > 20000.0 nM -
CHEMBL4208246 IC50 > 20000.0 nM -
CHEMBL4213819 IC50 > 20000.0 nM -
CHEMBL4216991 IC50 > 20000.0 nM -
CHEMBL4212480 IC50 > 20000.0 nM -