Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL4812388

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

Binding
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaphorase/resazurin-coupled system
95
Total Activities
91
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 2<i>H</i>-1λ<sup>2</sup>-Pyridin-2-one Inhibitors of Mutant Isocitrate Dehydrogenase 1 for the Treatment of Cancer.
Rohde JM, Karavadhi S, Pragani R, Liu L, Fang Y, Zhang W, McIver A, Zheng H, Liu Q, Davis MI, Urban DJ, Lee TD, Cheff DM, Hollingshead M, Henderson MJ, Martinez NJ, Brimacombe KR, Yasgar A, Zhao W, Klumpp-Thomas C, Michael S, Covey J, Moore WJ, Stott GM, Li Z, Simeonov A, Jadhav A, Frye S, Hall MD, Shen M, Wang X, Patnaik S, Boxer MB.
J Med Chem (2021) 64 : 4913 -4946
PubMed 33822623 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 95 6.29 7.46

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4875277 1 7.46
CHEMBL4851708 1 7.41
CHEMBL4864243 1 7.36
CHEMBL4860083 1 7.36
CHEMBL4878489 1 7.36
CHEMBL4868649 1 7.36
CHEMBL4858156 1 7.31
CHEMBL4879014 1 7.26
CHEMBL4848154 1 7.26
CHEMBL4878829 1 7.25
CHEMBL4854924 1 7.21
CHEMBL3989958 IVOSIDENIB 4.0 1 7.19
CHEMBL4864581 1 7.12
CHEMBL4867078 1 7.12
CHEMBL4845768 1 7.11
CHEMBL4448475 3 7.09
CHEMBL4873139 1 7.03
CHEMBL4861426 1 7.03
CHEMBL4853810 1 7.00
CHEMBL4864789 1 6.96
CHEMBL4851468 3 6.94
CHEMBL4863979 1 6.89
CHEMBL4876847 1 6.85
CHEMBL4872718 1 6.80
CHEMBL4857251 1 6.80
CHEMBL4857311 1 6.68
CHEMBL4852045 1 6.62
CHEMBL4872262 1 6.62
CHEMBL4877508 1 6.58
CHEMBL4866276 1 6.57

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4875277 IC50 = 35.0 nM 7.46
CHEMBL4851708 IC50 = 39.0 nM 7.41
CHEMBL4868649 IC50 = 44.0 nM 7.36
CHEMBL4878489 IC50 = 44.0 nM 7.36
CHEMBL4860083 IC50 = 44.0 nM 7.36
CHEMBL4864243 IC50 = 44.0 nM 7.36
CHEMBL4858156 IC50 = 49.0 nM 7.31
CHEMBL4879014 IC50 = 55.0 nM 7.26
CHEMBL4848154 IC50 = 55.0 nM 7.26
CHEMBL4878829 IC50 = 56.0 nM 7.25
CHEMBL4854924 IC50 = 62.0 nM 7.21
CHEMBL3989958 IVOSIDENIB IC50 = 65.0 nM 7.19
CHEMBL4867078 IC50 = 75.0 nM 7.12
CHEMBL4864581 IC50 = 75.0 nM 7.12
CHEMBL4845768 IC50 = 78.0 nM 7.11
CHEMBL4448475 IC50 = 81.0 nM 7.09
CHEMBL4861426 IC50 = 94.0 nM 7.03
CHEMBL4873139 IC50 = 94.0 nM 7.03
CHEMBL4853810 IC50 = 100.0 nM 7.00
CHEMBL4864789 IC50 = 110.0 nM 6.96
CHEMBL4448475 IC50 = 114.0 nM 6.94
CHEMBL4851468 IC50 = 114.0 nM 6.94
CHEMBL4851468 IC50 = 120.0 nM 6.92
CHEMBL4863979 IC50 = 130.0 nM 6.89
CHEMBL4876847 IC50 = 140.0 nM 6.85
CHEMBL4857251 IC50 = 160.0 nM 6.80
CHEMBL4872718 IC50 = 160.0 nM 6.80
CHEMBL4857311 IC50 = 210.0 nM 6.68
CHEMBL4872262 IC50 = 240.0 nM 6.62
CHEMBL4852045 IC50 = 240.0 nM 6.62
CHEMBL4448475 IC50 = 250.0 nM 6.60
CHEMBL4877508 IC50 = 260.0 nM 6.58
CHEMBL4863768 IC50 = 270.0 nM 6.57
CHEMBL4866276 IC50 = 270.0 nM 6.57
CHEMBL4854817 IC50 = 330.0 nM 6.48
CHEMBL4853662 IC50 = 360.0 nM 6.44
CHEMBL4873401 IC50 = 380.0 nM 6.42
CHEMBL4851781 IC50 = 390.0 nM 6.41
CHEMBL4861915 IC50 = 420.0 nM 6.38
CHEMBL4853124 IC50 = 420.0 nM 6.38
CHEMBL4851468 IC50 = 420.0 nM 6.38
CHEMBL4871710 IC50 = 470.0 nM 6.33
CHEMBL4872838 IC50 = 570.0 nM 6.24
CHEMBL4866561 IC50 = 690.0 nM 6.16
CHEMBL4849269 IC50 = 790.0 nM 6.10
CHEMBL4858758 IC50 = 870.0 nM 6.06
CHEMBL4868658 IC50 = 910.0 nM 6.04
CHEMBL4852318 IC50 = 1000.0 nM 6.00
CHEMBL4862440 IC50 = 1000.0 nM 6.00
CHEMBL4847291 IC50 = 1100.0 nM 5.96