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Assay Detail

CHEMBL4843280

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

ADMET
Inhibition of CYP2C9 in human liver microsomes using sulfaphenazole as substrate incubated for 10 mins in presence of NADPH by LCMS/MS analysis
27
Total Activities
27
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 2C9 (CHEMBL3397)
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 27 5.45 6.75

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4878988 1 6.75
CHEMBL4849690 1 6.04
CHEMBL4855340 1 5.85
CHEMBL4852566 1 5.80
CHEMBL4861332 1 5.75
CHEMBL4856417 1 5.72
CHEMBL4858888 1 5.72
CHEMBL4866916 1 5.68
CHEMBL4862584 1 5.68
CHEMBL4858219 1 5.66
CHEMBL4861936 1 5.57
CHEMBL4872039 1 5.51
CHEMBL4873803 1 5.41
CHEMBL4866976 1 5.38
CHEMBL4873747 1 5.37
CHEMBL4870583 1 5.34
CHEMBL4877654 1 5.29
CHEMBL4856710 1 5.21
CHEMBL4862755 1 5.21
CHEMBL3545369 EPACADOSTAT 3.0 1 5.11
CHEMBL4878766 1 5.11
CHEMBL4857514 1 5.10
CHEMBL4865106 1 4.80
CHEMBL4870435 1 4.64
CHEMBL4853212 1 4.64
CHEMBL4853456 1 -
CHEMBL4879173 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4878988 IC50 = 180.0 nM 6.75
CHEMBL4849690 IC50 = 910.0 nM 6.04
CHEMBL4855340 IC50 = 1400.0 nM 5.85
CHEMBL4852566 IC50 = 1600.0 nM 5.80
CHEMBL4861332 IC50 = 1800.0 nM 5.75
CHEMBL4856417 IC50 = 1900.0 nM 5.72
CHEMBL4858888 IC50 = 1900.0 nM 5.72
CHEMBL4866916 IC50 = 2100.0 nM 5.68
CHEMBL4862584 IC50 = 2100.0 nM 5.68
CHEMBL4858219 IC50 = 2200.0 nM 5.66
CHEMBL4861936 IC50 = 2700.0 nM 5.57
CHEMBL4872039 IC50 = 3060.0 nM 5.51
CHEMBL4873803 IC50 = 3900.0 nM 5.41
CHEMBL4866976 IC50 = 4200.0 nM 5.38
CHEMBL4873747 IC50 = 4300.0 nM 5.37
CHEMBL4870583 IC50 = 4600.0 nM 5.34
CHEMBL4877654 IC50 = 5100.0 nM 5.29
CHEMBL4856710 IC50 = 6200.0 nM 5.21
CHEMBL4862755 IC50 = 6200.0 nM 5.21
CHEMBL3545369 EPACADOSTAT IC50 = 7800.0 nM 5.11
CHEMBL4878766 IC50 = 7800.0 nM 5.11
CHEMBL4857514 IC50 = 8000.0 nM 5.10
CHEMBL4865106 IC50 = 16000.0 nM 4.80
CHEMBL4870435 IC50 = 23000.0 nM 4.64
CHEMBL4853212 IC50 = 23000.0 nM 4.64
CHEMBL4853456 IC50 > 10000.0 nM -
CHEMBL4879173 IC50 > 30000.0 nM -