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Assay Detail

CHEMBL4020428

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

Binding
Inhibition of recombinant human AKR1B1 using pyridine-3-aldehyde as substrate
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

Aldo-keto reductase family 1 member B1 (CHEMBL1900)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis of Potent and Selective Inhibitors of Aldo-Keto Reductase 1B10 and Their Efficacy against Proliferation, Metastasis, and Cisplatin Resistance of Lung Cancer Cells.
Endo S, Xia S, Suyama M, Morikawa Y, Oguri H, Hu D, Ao Y, Takahara S, Horino Y, Hayakawa Y, Watanabe Y, Gouda H, Hara A, Kuwata K, Toyooka N, Matsunaga T, Ikari A.
J Med Chem (2017) 60 : 8441 -8455
PubMed 28976752 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 6.59 7.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4089816 1 7.82
CHEMBL3318218 1 7.01
CHEMBL4071421 1 6.75
CHEMBL4062779 1 6.70
CHEMBL4081954 1 6.69
CHEMBL4098452 1 6.66
CHEMBL4089817 1 6.56
CHEMBL4068704 1 6.50
CHEMBL4071420 1 6.50
CHEMBL4060049 1 6.47
CHEMBL4084456 1 6.41
CHEMBL4081953 1 5.02
CHEMBL4092206 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4089816 IC50 = 15.0 nM 7.82
CHEMBL3318218 IC50 = 98.0 nM 7.01
CHEMBL4071421 IC50 = 180.0 nM 6.75
CHEMBL4062779 IC50 = 200.0 nM 6.70
CHEMBL4081954 IC50 = 204.0 nM 6.69
CHEMBL4098452 IC50 = 220.0 nM 6.66
CHEMBL4089817 IC50 = 277.0 nM 6.56
CHEMBL4068704 IC50 = 320.0 nM 6.50
CHEMBL4071420 IC50 = 314.0 nM 6.50
CHEMBL4060049 IC50 = 340.0 nM 6.47
CHEMBL4084456 IC50 = 390.0 nM 6.41
CHEMBL4081953 IC50 = 9500.0 nM 5.02
CHEMBL4092206 IC50 > 10000.0 nM -