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Assay Detail

CHEMBL4326293

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

Binding
Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins using isocitrate as substrate in presence of NADP by diaphorase/resazurin coupled fluorescence assay
13
Total Activities
13
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

Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
Jakob CG, Upadhyay AK, Donner PL, Nicholl E, Addo SN, Qiu W, Ling C, Gopalakrishnan SM, Torrent M, Cepa SP, Shanley J, Shoemaker AR, Sun CC, Vasudevan A, Woller KR, Shotwell JB, Shaw B, Bian Z, Hutti JE.
J Med Chem (2018) 61 : 6647 -6657
PubMed 30004704 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 6.43 7.39

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4593992 1 7.39
CHEMBL4556998 1 7.09
CHEMBL4535154 1 6.96
CHEMBL4515358 1 6.92
CHEMBL4540440 1 6.68
CHEMBL221360 1 6.57
CHEMBL4548727 1 6.39
CHEMBL4215717 1 6.01
CHEMBL4549554 1 5.82
CHEMBL4551778 1 5.75
CHEMBL4459125 1 5.10
CHEMBL4562890 1 -
CHEMBL4467995 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4593992 IC50 = 41.0 nM 7.39
CHEMBL4556998 IC50 = 82.0 nM 7.09
CHEMBL4535154 IC50 = 110.0 nM 6.96
CHEMBL4515358 IC50 = 120.0 nM 6.92
CHEMBL4540440 IC50 = 210.0 nM 6.68
CHEMBL221360 IC50 = 270.0 nM 6.57
CHEMBL4548727 IC50 = 410.0 nM 6.39
CHEMBL4215717 IC50 = 970.0 nM 6.01
CHEMBL4549554 IC50 = 1500.0 nM 5.82
CHEMBL4551778 IC50 = 1770.0 nM 5.75
CHEMBL4459125 IC50 = 8000.0 nM 5.10
CHEMBL4562890 IC50 > 10000.0 nM -
CHEMBL4467995 IC50 > 10000.0 nM -