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Assay Detail

CHEMBL4428989

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

Binding
Inhibition of human recombinant AKR1C2 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 10 mins followed by protein addition by fluorometric assay
14
Total Activities
14
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 C2 (CHEMBL5847)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of (R)-2-(6-Methoxynaphthalen-2-yl)butanoic Acid as a Potent and Selective Aldo-keto Reductase 1C3 Inhibitor.
Adeniji A, Uddin MJ, Zang T, Tamae D, Wangtrakuldee P, Marnett LJ, Penning TM.
J Med Chem (2016) 59 : 7431 -7444
PubMed 27486833 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 14 5.35 5.90

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL154 NAPROXEN 4.0 1 5.90
CHEMBL1236131 1 5.87
CHEMBL4551048 1 5.82
CHEMBL4466610 1 5.76
CHEMBL4446810 1 5.72
CHEMBL4457933 1 5.62
CHEMBL1618254 1 5.56
CHEMBL4459662 1 5.52
CHEMBL4437291 1 5.36
CHEMBL4473378 1 5.20
CHEMBL4437071 1 5.12
CHEMBL1105 6-METHOXY-2-NAPHTHYLACETIC ACID -1.0 1 4.72
CHEMBL4447175 1 4.47
CHEMBL4435662 1 4.32

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL154 NAPROXEN IC50 = 1260.0 nM 5.90
CHEMBL1236131 IC50 = 1350.0 nM 5.87
CHEMBL4551048 IC50 = 1500.0 nM 5.82
CHEMBL4466610 IC50 = 1720.0 nM 5.76
CHEMBL4446810 IC50 = 1900.0 nM 5.72
CHEMBL4457933 IC50 = 2400.0 nM 5.62
CHEMBL1618254 IC50 = 2750.0 nM 5.56
CHEMBL4459662 IC50 = 3000.0 nM 5.52
CHEMBL4437291 IC50 = 4350.0 nM 5.36
CHEMBL4473378 IC50 = 6300.0 nM 5.20
CHEMBL4437071 IC50 = 7600.0 nM 5.12
CHEMBL1105 6-METHOXY-2-NAPHTHYLACETIC ACID IC50 = 19040.0 nM 4.72
CHEMBL4447175 IC50 = 34000.0 nM 4.47
CHEMBL4435662 IC50 = 48100.0 nM 4.32