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Assay Detail

CHEMBL5122827

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

Binding
Inhibition of recombinant human AKR1C3 transfected in Escherichia coli BL21 (DE) assessed as reduction in NADPH production using S-tetralol as substrate by fluorescence based analysis
12
Total Activities
12
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 C3 (CHEMBL4681)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

New aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the hydroxytriazole scaffold.
Pippione AC, Kilic-Kurt Z, Kovachka S, Sainas S, Rolando B, Denasio E, Pors K, Adinolfi S, Zonari D, Bagnati R, Lolli ML, Spyrakis F, Oliaro-Bosso S, Boschi D.
Eur J Med Chem (2022) 237 : 114366 -114366
PubMed 35447434 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 12 6.57 7.16

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5194388 1 7.16
CHEMBL5172658 1 6.96
CHEMBL5174744 1 6.72
CHEMBL5204156 1 6.68
CHEMBL5170149 1 6.66
CHEMBL5170401 1 6.58
CHEMBL5175151 1 6.57
CHEMBL4174786 1 6.51
CHEMBL5206583 1 6.51
CHEMBL5191752 1 6.40
CHEMBL5187723 1 6.33
CHEMBL5183881 1 5.79

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5194388 IC50 = 69.0 nM 7.16
CHEMBL5172658 IC50 = 110.0 nM 6.96
CHEMBL5174744 IC50 = 190.0 nM 6.72
CHEMBL5204156 IC50 = 210.0 nM 6.68
CHEMBL5170149 IC50 = 220.0 nM 6.66
CHEMBL5170401 IC50 = 260.0 nM 6.58
CHEMBL5175151 IC50 = 270.0 nM 6.57
CHEMBL4174786 IC50 = 310.0 nM 6.51
CHEMBL5206583 IC50 = 310.0 nM 6.51
CHEMBL5191752 IC50 = 400.0 nM 6.40
CHEMBL5187723 IC50 = 470.0 nM 6.33
CHEMBL5183881 IC50 = 1630.0 nM 5.79