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Assay Detail

CHEMBL4843243

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 incubated for 5 mins in presence of NADPH by LCMS/MS analysis
17
Total Activities
17
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

Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
Hamilton MM, Mseeh F, McAfoos TJ, Leonard PG, Reyna NJ, Harris AL, Xu A, Han M, Soth MJ, Czako B, Theroff JP, Mandal PK, Burke JP, Virgin-Downey B, Petrocchi A, Pfaffinger D, Rogers NE, Parker CA, Yu SS, Jiang Y, Krapp S, Lammens A, Trevitt G, Tremblay MR, Mikule K, Wilcoxen K, Cross JB, Jones P, Marszalek JR, Lewis RT.
J Med Chem (2021) 64 : 11302 -11329
PubMed 34292726 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 5.31 5.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4852532 1 5.96
CHEMBL4866113 1 5.89
CHEMBL4846874 1 5.85
CHEMBL4872803 1 5.72
CHEMBL4852881 1 5.68
CHEMBL4872522 1 5.48
CHEMBL4868112 1 5.27
CHEMBL4873928 1 5.17
CHEMBL4873892 1 4.89
CHEMBL4870664 1 4.75
CHEMBL3545369 EPACADOSTAT 3.0 1 4.55
CHEMBL4848055 1 4.51
CHEMBL4875089 1 -
CHEMBL4853036 1 -
CHEMBL4854742 1 -
CHEMBL4848111 1 -
CHEMBL4865079 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4852532 IC50 = 1100.0 nM 5.96
CHEMBL4866113 IC50 = 1300.0 nM 5.89
CHEMBL4846874 IC50 = 1400.0 nM 5.85
CHEMBL4872803 IC50 = 1900.0 nM 5.72
CHEMBL4852881 IC50 = 2100.0 nM 5.68
CHEMBL4872522 IC50 = 3300.0 nM 5.48
CHEMBL4868112 IC50 = 5400.0 nM 5.27
CHEMBL4873928 IC50 = 6700.0 nM 5.17
CHEMBL4873892 IC50 = 13000.0 nM 4.89
CHEMBL4870664 IC50 = 18000.0 nM 4.75
CHEMBL3545369 EPACADOSTAT IC50 = 28000.0 nM 4.55
CHEMBL4848055 IC50 = 31000.0 nM 4.51
CHEMBL4875089 IC50 > 5000.0 nM -
CHEMBL4853036 IC50 > 17000.0 nM -
CHEMBL4854742 IC50 > 50000.0 nM -
CHEMBL4848111 IC50 > 17000.0 nM -
CHEMBL4865079 IC50 > 50000.0 nM -