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Assay Detail

CHEMBL4133559

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Binding
Inhibition of AKR1C3 (unknown origin) using S-tetralol as substrate in presence of NADP+ by fluorimtery
9
Total Activities
9
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

Hydroxytriazole derivatives as potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors discovered by bioisosteric scaffold hopping approach.
Pippione AC, Giraudo A, Bonanni D, Carnovale IM, Marini E, Cena C, Costale A, Zonari D, Pors K, Sadiq M, Boschi D, Oliaro-Bosso S, Lolli ML.
Eur J Med Chem (2017) 139 : 936 -946
PubMed 28881288 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 9 6.25 6.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4174786 1 6.51
CHEMBL23588 FLUFENAMIC ACID 2.0 1 6.36
CHEMBL4166887 1 6.32
CHEMBL4159654 1 5.80
CHEMBL4170286 1 -
CHEMBL4163031 1 -
CHEMBL4173733 1 -
CHEMBL4166474 1 -
CHEMBL4177097 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4174786 IC50 = 310.0 nM 6.51
CHEMBL23588 FLUFENAMIC ACID IC50 = 440.0 nM 6.36
CHEMBL4166887 IC50 = 480.0 nM 6.32
CHEMBL4159654 IC50 = 1600.0 nM 5.80
CHEMBL4170286 IC50 - -
CHEMBL4163031 IC50 - -
CHEMBL4173733 IC50 - -
CHEMBL4166474 IC50 - -
CHEMBL4177097 IC50 - -