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Assay Detail

CHEMBL4812398

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

Binding
Inhibition of IDH1 R132H mutant (unknown origin) expressed in human U87 cells assessed as R-2-hydroxyglutarate production after 48 hrs by LC-MS analysis
3
Total Activities
2
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type U87
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

Discovery and Optimization of 2<i>H</i>-1λ<sup>2</sup>-Pyridin-2-one Inhibitors of Mutant Isocitrate Dehydrogenase 1 for the Treatment of Cancer.
Rohde JM, Karavadhi S, Pragani R, Liu L, Fang Y, Zhang W, McIver A, Zheng H, Liu Q, Davis MI, Urban DJ, Lee TD, Cheff DM, Hollingshead M, Henderson MJ, Martinez NJ, Brimacombe KR, Yasgar A, Zhao W, Klumpp-Thomas C, Michael S, Covey J, Moore WJ, Stott GM, Li Z, Simeonov A, Jadhav A, Frye S, Hall MD, Shen M, Wang X, Patnaik S, Boxer MB.
J Med Chem (2021) 64 : 4913 -4946
PubMed 33822623 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 3 8.27 9.37

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4448475 2 9.37
CHEMBL3989958 IVOSIDENIB 4.0 1 7.57

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4448475 EC50 = 0.43 nM 9.37
CHEMBL4448475 EC50 = 13.04 nM 7.88
CHEMBL3989958 IVOSIDENIB EC50 = 27.23 nM 7.57