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Assay Detail

CHEMBL5261222

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

Binding
Inhibition of IDH1 R132H mutant expressed in human HCT-116 cells assessed as effect on intracellular 2-HG level incubated for 48 hrs by LC/MS/MS analysis
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HCT-116
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1.
Levell JR, Caferro T, Chenail G, Dix I, Dooley J, Firestone B, Fortin PD, Giraldes J, Gould T, Growney JD, Jones MD, Kulathila R, Lin F, Liu G, Mueller A, van der Plas S, Slocum K, Smith T, Terranova R, Touré BB, Tyagi V, Wagner T, Xie X, Xu M, Yang FS, Zhou LX, Pagliarini R, Cho YS.
ACS Med Chem Lett (2017) 8 : 151 -156
PubMed 28197303 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 6.42 7.85

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4169151 1 7.85
CHEMBL3677013 1 7.66
CHEMBL5273829 1 7.05
CHEMBL5289157 1 6.80
CHEMBL3672144 1 6.80
CHEMBL5269195 1 6.77
CHEMBL4216196 1 6.70
CHEMBL3672192 1 6.48
CHEMBL3639710 1 6.46
CHEMBL5267963 1 6.38
CHEMBL3672163 1 6.37
CHEMBL5277001 1 6.30
CHEMBL3672183 1 6.28
CHEMBL3672097 1 6.18
CHEMBL3677089 1 6.16
CHEMBL3672135 1 6.06
CHEMBL3672129 1 5.96
CHEMBL3672198 1 5.93
CHEMBL5273919 1 5.87
CHEMBL5281535 1 5.60
CHEMBL3639759 1 5.10

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4169151 IC50 = 14.0 nM 7.85
CHEMBL3677013 IC50 = 22.0 nM 7.66
CHEMBL5273829 IC50 = 90.0 nM 7.05
CHEMBL5289157 IC50 = 160.0 nM 6.80
CHEMBL3672144 IC50 = 160.0 nM 6.80
CHEMBL5269195 IC50 = 170.0 nM 6.77
CHEMBL4216196 IC50 = 200.0 nM 6.70
CHEMBL3672192 IC50 = 330.0 nM 6.48
CHEMBL3639710 IC50 = 350.0 nM 6.46
CHEMBL5267963 IC50 = 420.0 nM 6.38
CHEMBL3672163 IC50 = 430.0 nM 6.37
CHEMBL5277001 IC50 = 500.0 nM 6.30
CHEMBL3672183 IC50 = 520.0 nM 6.28
CHEMBL3672097 IC50 = 660.0 nM 6.18
CHEMBL3677089 IC50 = 690.0 nM 6.16
CHEMBL3672135 IC50 = 870.0 nM 6.06
CHEMBL3672129 IC50 = 1100.0 nM 5.96
CHEMBL3672198 IC50 = 1170.0 nM 5.93
CHEMBL5273919 IC50 = 1340.0 nM 5.87
CHEMBL5281535 IC50 = 2500.0 nM 5.60
CHEMBL3639759 IC50 = 7900.0 nM 5.10