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Assay Detail

CHEMBL4032333

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

Binding
Inhibition of wild type IDH1 (unknown origin) using isocitrate as substrate preincubated for 30 mins followed by substrate addition in presence of NADP+ measured up to 5 mins by resorufin-based fluorescence assay
21
Total Activities
21
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

Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
Rai G, Brimacombe KR, Mott BT, Urban DJ, Hu X, Yang SM, Lee TD, Cheff DM, Kouznetsova J, Benavides GA, Pohida K, Kuenstner EJ, Luci DK, Lukacs CM, Davies DR, Dranow DM, Zhu H, Sulikowski G, Moore WJ, Stott GM, Flint AJ, Hall MD, Darley-Usmar VM, Neckers LM, Dang CV, Waterson AG, Simeonov A, Jadhav A, Maloney DJ.
J Med Chem (2017) 60 : 9184 -9204
PubMed 29120638 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 4.43 4.58

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4082867 1 4.58
CHEMBL4081890 1 4.53
CHEMBL4100845 1 4.47
CHEMBL4101800 1 4.47
CHEMBL4059985 1 4.32
CHEMBL4063125 1 4.32
CHEMBL4080497 1 4.32
CHEMBL3335794 1 -
CHEMBL4065858 1 -
CHEMBL4076973 1 -
CHEMBL4084774 1 -
CHEMBL4099443 1 -
CHEMBL4069796 1 -
CHEMBL4090794 1 -
CHEMBL2059811 1 -
CHEMBL4076958 1 -
CHEMBL4066429 1 -
CHEMBL4092360 1 -
CHEMBL4075666 1 -
CHEMBL4090677 1 -
CHEMBL4076027 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4082867 IC50 = 26600.0 nM 4.58
CHEMBL4081890 IC50 = 29800.0 nM 4.53
CHEMBL4100845 IC50 = 33500.0 nM 4.47
CHEMBL4101800 IC50 = 33500.0 nM 4.47
CHEMBL4059985 IC50 = 47400.0 nM 4.32
CHEMBL4063125 IC50 = 47400.0 nM 4.32
CHEMBL4080497 IC50 = 47400.0 nM 4.32
CHEMBL3335794 IC50 > 57000.0 nM -
CHEMBL4065858 IC50 > 57000.0 nM -
CHEMBL4076973 IC50 > 57000.0 nM -
CHEMBL4084774 IC50 > 57000.0 nM -
CHEMBL4099443 IC50 > 57000.0 nM -
CHEMBL4069796 IC50 > 57000.0 nM -
CHEMBL4090794 IC50 > 57000.0 nM -
CHEMBL2059811 IC50 > 57000.0 nM -
CHEMBL4076958 IC50 > 57000.0 nM -
CHEMBL4066429 IC50 > 57000.0 nM -
CHEMBL4092360 IC50 > 57000.0 nM -
CHEMBL4075666 IC50 > 57000.0 nM -
CHEMBL4090677 IC50 > 57000.0 nM -
CHEMBL4076027 IC50 > 57000.0 nM -