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Assay Detail

CHEMBL4843236

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

Binding
Inhibition of recombinant human His-tagged IDO1 (Ala2 to Gly403 residues) expressed in Escherichia coli using tryptophan as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by RFMS assay
13
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Indoleamine 2,3-dioxygenase 1 (CHEMBL4685)
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 13 7.41 8.46

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3545369 EPACADOSTAT 3.0 1 8.46
CHEMBL3989951 NAVOXIMOD 2.0 2 7.85
CHEMBL4853212 1 7.62
CHEMBL4870435 1 7.17
CHEMBL4086143 PF-06840003 1.0 1 6.67
CHEMBL4872488 1 -
CHEMBL4868286 1 -
CHEMBL4878270 1 -
CHEMBL4856573 1 -
CHEMBL4868833 1 -
CHEMBL4852532 1 -
CHEMBL4872522 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3545369 EPACADOSTAT IC50 = 3.5 nM 8.46
CHEMBL3989951 NAVOXIMOD IC50 = 14.0 nM 7.85
CHEMBL4853212 IC50 = 24.0 nM 7.62
CHEMBL4870435 IC50 = 68.0 nM 7.17
CHEMBL3989951 NAVOXIMOD IC50 = 210.0 nM 6.68
CHEMBL4086143 PF-06840003 IC50 = 216.0 nM 6.67
CHEMBL4872488 IC50 > 50000.0 nM -
CHEMBL4868286 IC50 > 16000.0 nM -
CHEMBL4878270 IC50 > 50000.0 nM -
CHEMBL4856573 IC50 > 16000.0 nM -
CHEMBL4868833 IC50 > 16000.0 nM -
CHEMBL4852532 IC50 > 50000.0 nM -
CHEMBL4872522 IC50 > 50000.0 nM -