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Assay Detail

CHEMBL5356485

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

Binding
Inhibition of recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using 2OG as substrate assessed as 2OG conversion to 2HG incubated for 60 mins in presence of NADPH by spectrophotometric analysis
13
Total Activities
13
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

Isocitrate dehydrogenase [NADP] cytoplasmic (CHEMBL2007625)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Differentiating Inhibition Selectivity and Binding Affinity of Isocitrate Dehydrogenase 1 Variant Inhibitors.
Liu S, Abboud M, Mikhailov V, Liu X, Reinbold R, Schofield CJ.
J Med Chem (2023) 66 : 5279 -5288
PubMed 36952395 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 7.46 8.31

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3989958 IVOSIDENIB 4.0 1 8.31
CHEMBL3682093 1 8.09
CHEMBL5408932 1 7.75
CHEMBL4206033 BAY1436032 1.0 1 7.75
CHEMBL4565370 1 7.70
CHEMBL4279047 VORASIDENIB 4.0 1 7.68
CHEMBL3677053 1 7.60
CHEMBL2180727 1 7.21
CHEMBL5426446 1 7.14
CHEMBL4208002 1 5.35
CHEMBL2386126 1 -
CHEMBL3392845 1 -
CHEMBL3989908 ENASIDENIB 4.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3989958 IVOSIDENIB IC50 = 4.9 nM 8.31
CHEMBL3682093 IC50 = 8.2 nM 8.09
CHEMBL5408932 IC50 = 18.0 nM 7.75
CHEMBL4206033 BAY1436032 IC50 = 18.0 nM 7.75
CHEMBL4565370 IC50 = 20.0 nM 7.70
CHEMBL4279047 VORASIDENIB IC50 = 21.0 nM 7.68
CHEMBL3677053 IC50 = 25.0 nM 7.60
CHEMBL2180727 IC50 = 61.0 nM 7.21
CHEMBL5426446 IC50 = 73.0 nM 7.14
CHEMBL4208002 IC50 = 4500.0 nM 5.35
CHEMBL2386126 IC50 > 10000.0 nM -
CHEMBL3392845 IC50 > 10000.0 nM -
CHEMBL3989908 ENASIDENIB IC50 > 10000.0 nM -