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Assay Detail

CHEMBL4135748

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

Binding
Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate by LC-MS/MS analysis
14
Total Activities
14
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

Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor.
Cho YS, Levell JR, Liu G, Caferro T, Sutton J, Shafer CM, Costales A, Manning JR, Zhao Q, Sendzik M, Shultz M, Chenail G, Dooley J, Villalba B, Farsidjani A, Chen J, Kulathila R, Xie X, Dodd S, Gould T, Liang G, Heimbach T, Slocum K, Firestone B, Pu M, Pagliarini R, Growney JD.
ACS Med Chem Lett (2017) 8 : 1116 -1121
PubMed 29057061 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 14 7.43 8.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4170686 1 8.40
CHEMBL4172087 1 7.89
CHEMBL4166795 1 7.82
CHEMBL3947537 1 7.75
CHEMBL4169151 1 7.70
CHEMBL4163921 1 7.55
CHEMBL3949375 1 7.48
CHEMBL4160534 1 7.46
CHEMBL4173642 1 7.21
CHEMBL4167360 IDH305 2.0 1 7.14
CHEMBL4162284 1 7.11
CHEMBL4177420 1 7.08
CHEMBL4164212 1 6.94
CHEMBL4165726 1 6.47

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4170686 IC50 = 4.0 nM 8.40
CHEMBL4172087 IC50 = 13.0 nM 7.89
CHEMBL4166795 IC50 = 15.0 nM 7.82
CHEMBL3947537 IC50 = 18.0 nM 7.75
CHEMBL4169151 IC50 = 20.0 nM 7.70
CHEMBL4163921 IC50 = 28.0 nM 7.55
CHEMBL3949375 IC50 = 33.0 nM 7.48
CHEMBL4160534 IC50 = 35.0 nM 7.46
CHEMBL4173642 IC50 = 62.0 nM 7.21
CHEMBL4167360 IDH305 IC50 = 73.0 nM 7.14
CHEMBL4162284 IC50 = 77.0 nM 7.11
CHEMBL4177420 IC50 = 84.0 nM 7.08
CHEMBL4164212 IC50 = 116.0 nM 6.94
CHEMBL4165726 IC50 = 339.0 nM 6.47