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Assay Detail

CHEMBL669631

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

Binding
Inhibition of [3H]- ouabain binding to digitalis receptor
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Cavia porcellus
Confidence 4 — Cell-line / Tissue
Curated By Autocuration

Target

Sodium/potassium-transporting ATPase (CHEMBL2095186)
Type PROTEIN COMPLEX GROUP
Organism Homo sapiens

Publication

Synthesis of 20-hydroxy-, 20-amino-, and 20-nitro-14-hydroxy-21-nor-5 beta,14 beta-pregnane C-3 glycosides and related derivatives: structure-activity relationships of pregnanes that bind to the digitalis receptor.
Templeton JF, Ling Y, Zeglam TH, LaBella FS.
J Med Chem (1993) 36 : 42 -45
PubMed 8421289 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 12 6.67 8.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1453 DIGITOXIGENIN 1 8.10
CHEMBL254219 DIGITOXIN 4.0 1 8.10
CHEMBL2069010 1 7.92
CHEMBL2069112 1 7.35
CHEMBL2068949 1 7.06
CHEMBL2069062 1 7.00
CHEMBL2069127 1 6.57
CHEMBL2069005 1 6.44
CHEMBL2068948 1 6.21
CHEMBL2068950 1 5.97
CHEMBL2069045 1 4.82
CHEMBL2069011 1 4.44

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1453 DIGITOXIGENIN IC50 = 8.0 nM 8.10
CHEMBL254219 DIGITOXIN IC50 = 8.0 nM 8.10
CHEMBL2069010 IC50 = 12.0 nM 7.92
CHEMBL2069112 IC50 = 45.0 nM 7.35
CHEMBL2068949 IC50 = 88.0 nM 7.06
CHEMBL2069062 IC50 = 99.0 nM 7.00
CHEMBL2069127 IC50 = 270.0 nM 6.57
CHEMBL2069005 IC50 = 360.0 nM 6.44
CHEMBL2068948 IC50 = 610.0 nM 6.21
CHEMBL2068950 IC50 = 1070.0 nM 5.97
CHEMBL2069045 IC50 = 15000.0 nM 4.82
CHEMBL2069011 IC50 = 36000.0 nM 4.44