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Assay Detail

CHEMBL4708483

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Binding
Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincubated with enzyme for 15 mins followed by substrate addition by fluorescence based assay
36
Total Activities
36
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], mitochondrial (CHEMBL3991501)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells.
Che J,Huang F,Zhang M,Xu G,Qu B,Gao J,Chen B,Zhang J,Ying H,Hu Y,Hu X,Zhou Y,Gao A,Li J,Dong X
Eur J Med Chem (2020) 203 : 112491 -112491
PubMed 32679449 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 36 7.22 8.21

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4753099 1 8.21
CHEMBL4800354 1 7.91
CHEMBL4796025 1 7.86
CHEMBL4786020 1 7.76
CHEMBL4753744 1 7.74
CHEMBL4783076 1 7.73
CHEMBL4782070 1 7.70
CHEMBL4746278 1 7.65
CHEMBL4756154 1 7.58
CHEMBL4750012 1 7.53
CHEMBL4754521 1 7.48
CHEMBL3989908 ENASIDENIB 4.0 1 7.45
CHEMBL4790341 1 7.44
CHEMBL4739900 1 7.43
CHEMBL4779519 1 7.42
CHEMBL4781074 1 7.42
CHEMBL4751821 1 7.42
CHEMBL4787510 1 7.42
CHEMBL4793173 1 7.40
CHEMBL4762400 1 7.34
CHEMBL4761041 1 7.34
CHEMBL4786533 1 7.29
CHEMBL4794091 1 7.21
CHEMBL4784873 1 7.19
CHEMBL4756939 1 7.10
CHEMBL4790929 1 7.01
CHEMBL4782130 1 6.98
CHEMBL3989931 ENASIDENIB MESYLATE 4.0 1 6.91
CHEMBL4793042 1 6.88
CHEMBL4748664 1 6.74

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4753099 IC50 = 6.1 nM 8.21
CHEMBL4800354 IC50 = 12.2 nM 7.91
CHEMBL4796025 IC50 = 13.8 nM 7.86
CHEMBL4786020 IC50 = 17.4 nM 7.76
CHEMBL4753744 IC50 = 18.4 nM 7.74
CHEMBL4783076 IC50 = 18.6 nM 7.73
CHEMBL4782070 IC50 = 19.9 nM 7.70
CHEMBL4746278 IC50 = 22.2 nM 7.65
CHEMBL4756154 IC50 = 26.0 nM 7.58
CHEMBL4750012 IC50 = 29.5 nM 7.53
CHEMBL4754521 IC50 = 32.8 nM 7.48
CHEMBL3989908 ENASIDENIB IC50 = 35.9 nM 7.45
CHEMBL4790341 IC50 = 36.0 nM 7.44
CHEMBL4739900 IC50 = 37.2 nM 7.43
CHEMBL4787510 IC50 = 38.5 nM 7.42
CHEMBL4779519 IC50 = 37.9 nM 7.42
CHEMBL4751821 IC50 = 37.6 nM 7.42
CHEMBL4781074 IC50 = 37.6 nM 7.42
CHEMBL4793173 IC50 = 39.9 nM 7.40
CHEMBL4761041 IC50 = 46.0 nM 7.34
CHEMBL4762400 IC50 = 45.6 nM 7.34
CHEMBL4786533 IC50 = 51.0 nM 7.29
CHEMBL4794091 IC50 = 60.9 nM 7.21
CHEMBL4784873 IC50 = 64.4 nM 7.19
CHEMBL4756939 IC50 = 79.3 nM 7.10
CHEMBL4790929 IC50 = 98.2 nM 7.01
CHEMBL4782130 IC50 = 104.6 nM 6.98
CHEMBL3989931 ENASIDENIB MESYLATE IC50 = 123.6 nM 6.91
CHEMBL4793042 IC50 = 132.7 nM 6.88
CHEMBL4748664 IC50 = 182.3 nM 6.74
CHEMBL4748497 IC50 = 266.7 nM 6.57
CHEMBL4762182 IC50 = 396.0 nM 6.40
CHEMBL4788410 IC50 = 663.4 nM 6.18
CHEMBL4753020 IC50 = 683.5 nM 6.17
CHEMBL4784579 IC50 = 699.0 nM 6.16
CHEMBL4744069 IC50 = 1241.0 nM 5.91