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Assay Detail

CHEMBL4199919

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

Binding
Inhibition of IDH1 R132H mutant (unknown origin) expressed in HCT116 cells assessed as reduction in 2-HG levels after 48 hrs by LC-MS/MS analysis
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Orally Bioavailable and Brain Penetrant Mutant IDH1 Inhibitors.
Zhao Q, Manning JR, Sutton J, Costales A, Sendzik M, Shafer CM, Levell JR, Liu G, Caferro T, Cho YS, Palermo M, Chenail G, Dooley J, Villalba B, Farsidjani A, Chen J, Dodd S, Gould T, Liang G, Slocum K, Pu M, Firestone B, Growney J, Heimbach T, Pagliarini R.
ACS Med Chem Lett (2018) 9 : 746 -751
PubMed 30034612 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 7.49 8.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3986241 1 8.40
CHEMBL4216510 1 7.89
CHEMBL4208648 1 7.82
CHEMBL3909586 1 7.82
CHEMBL3959391 1 7.66
CHEMBL3894881 1 7.62
CHEMBL3953686 1 7.52
CHEMBL4216983 1 7.41
CHEMBL4217038 1 7.33
CHEMBL4114410 1 6.62
CHEMBL4212061 1 6.25

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3986241 IC50 = 4.0 nM 8.40
CHEMBL4216510 IC50 = 13.0 nM 7.89
CHEMBL4208648 IC50 = 15.0 nM 7.82
CHEMBL3909586 IC50 = 15.0 nM 7.82
CHEMBL3959391 IC50 = 22.0 nM 7.66
CHEMBL3894881 IC50 = 24.0 nM 7.62
CHEMBL3953686 IC50 = 30.0 nM 7.52
CHEMBL4216983 IC50 = 39.0 nM 7.41
CHEMBL4217038 IC50 = 47.0 nM 7.33
CHEMBL4114410 IC50 = 240.0 nM 6.62
CHEMBL4212061 IC50 = 560.0 nM 6.25