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Assay Detail

CHEMBL5368526

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

Binding
Inhibition of IDH2 R140Q mutant (unknown origin) expressed in human TF-1 cells assessed as inhibition of D2HG production incubated for 3 days by UHPL HRMS analysis
9
Total Activities
8
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type TF-1
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Isocitrate dehydrogenase [NADP], mitochondrial (CHEMBL3991501)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-Based Drug Design of Novel Triaminotriazine Derivatives as Orally Bioavailable IDH2<sup>R140Q</sup> Inhibitors with High Selectivity and Reduced hERG Inhibitory Activity for the Treatment of Acute Myeloid Leukemia.
Wei Q, Yao K, Yang J, Zhou Q, Liu P, Chen J, Liu H, Lai Y, Cao P.
J Med Chem (2023) 66 : 12894 -12910
PubMed 37706660 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 7.27 8.00
Inhibition 1 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5441137 2 8.00
CHEMBL3989908 ENASIDENIB 4.0 1 7.96
CHEMBL5428697 1 7.68
CHEMBL5418738 1 7.28
CHEMBL5432152 1 7.01
CHEMBL5397296 1 6.94
CHEMBL5405494 1 6.70
CHEMBL5430339 1 6.58

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5441137 IC50 = 10.0 nM 8.00
CHEMBL3989908 ENASIDENIB IC50 = 11.0 nM 7.96
CHEMBL5428697 IC50 = 21.0 nM 7.68
CHEMBL5418738 IC50 = 52.0 nM 7.28
CHEMBL5432152 IC50 = 97.0 nM 7.01
CHEMBL5397296 IC50 = 115.0 nM 6.94
CHEMBL5405494 IC50 = 202.0 nM 6.70
CHEMBL5430339 IC50 = 264.0 nM 6.58
CHEMBL5441137 Inhibition - % -