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Assay Detail

CHEMBL644883

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Binding
Inhibitory Activity against Human recombinant Aldose Reductase (wild type)
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

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

Publication

Molecular modeling of the aldose reductase-inhibitor complex based on the X-ray crystal structure and studies with single-site-directed mutants.
Singh SB, Malamas MS, Hohman TC, Nilakantan R, Carper DA, Kitchen D.
J Med Chem (2000) 43 : 1062 -1070
PubMed 10737739 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 7.04 7.44

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL10372 ZOPOLRESTAT 2.0 1 7.44
CHEMBL10413 ZENARESTAT 2.0 1 7.37
CHEMBL436 TOLRESTAT 4.0 1 7.33
CHEMBL269455 IMIRESTAT 2.0 1 7.26
CHEMBL7679 PONALRESTAT 2.0 1 7.18
CHEMBL292963 1 7.14
CHEMBL10615 1 7.13
CHEMBL10382 1 7.11
CHEMBL10552 1 6.84
CHEMBL10350 1 6.64
CHEMBL266497 SORBINIL 3.0 1 6.04

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL10372 ZOPOLRESTAT IC50 = 36.4 nM 7.44
CHEMBL10413 ZENARESTAT IC50 = 42.4 nM 7.37
CHEMBL436 TOLRESTAT IC50 = 47.0 nM 7.33
CHEMBL269455 IMIRESTAT IC50 = 54.7 nM 7.26
CHEMBL7679 PONALRESTAT IC50 = 66.5 nM 7.18
CHEMBL292963 IC50 = 72.6 nM 7.14
CHEMBL10615 IC50 = 73.2 nM 7.13
CHEMBL10382 IC50 = 78.2 nM 7.11
CHEMBL10552 IC50 = 144.1 nM 6.84
CHEMBL10350 IC50 = 226.6 nM 6.64
CHEMBL266497 SORBINIL IC50 = 918.6 nM 6.04