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Assay Detail

CHEMBL892636

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Binding
Inhibition of xanthine oxidase
8
Total Activities
8
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

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

Target

Xanthine dehydrogenase/oxidase (CHEMBL1929)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Relationship between quantum-chemical descriptors of proton dissociation and experimental acidity constants of various hydroxylated coumarins. Identification of the biologically active species for xanthine oxidase inhibition.
Ferrari AM, Sgobba M, Gamberini MC, Rastelli G.
Eur J Med Chem (2007) 42 : 1028 -1031
PubMed 17316915 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 7 5.09 5.09
Activity 1 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL244743 ESCULETIN 1 5.09
CHEMBL150372 3-HYDROXYCOUMARIN 1 -
CHEMBL313244 4-METHYLESCULETIN 1 -
CHEMBL71851 SCOPOLETIN 1 -
CHEMBL390320 ISOSCOPOLETIN 1 -
CHEMBL244948 DAPHNETIN -1.0 1 -
CHEMBL51628 UMBELLIFERONE 1 -
CHEMBL301141 4-HYDROXYCOUMARINS 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL244743 ESCULETIN IC50 = 8200.0 nM 5.09
CHEMBL150372 3-HYDROXYCOUMARIN IC50 = 131000.0 nM -
CHEMBL313244 4-METHYLESCULETIN IC50 = 246000.0 nM -
CHEMBL71851 SCOPOLETIN Activity - -
CHEMBL390320 ISOSCOPOLETIN IC50 = 138000.0 nM -
CHEMBL244948 DAPHNETIN IC50 = 390000.0 nM -
CHEMBL51628 UMBELLIFERONE IC50 = 236000.0 nM -
CHEMBL301141 4-HYDROXYCOUMARINS IC50 = 195000.0 nM -