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Assay Detail

CHEMBL4037345

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

Binding
Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of Na+, K+ and Mg2+ by liquid scintillation counting
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Confidence 7 — Homologous single protein target
Curated By Autocuration

Target

N+/K+ ATPase alpha-4/beta-1 (CHEMBL4106165)
Type PROTEIN COMPLEX
Organism Rattus norvegicus

Publication

Design, Synthesis, and in Vitro and in Vivo Evaluation of Ouabain Analogues as Potent and Selective Na,K-ATPase α4 Isoform Inhibitors for Male Contraception.
Syeda SS, Sánchez G, Hong KH, Hawkinson JE, Georg GI, Blanco G.
J Med Chem (2018) 61 : 1800 -1820
PubMed 29291372 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 7.61 10.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4092961 1 10.96
CHEMBL4059538 1 9.22
CHEMBL4066361 1 8.85
CHEMBL111743 STROPHANTHIDIN 1 8.62
CHEMBL4071710 1 8.40
CHEMBL222863 OUABAIN -1.0 1 8.37
CHEMBL4076623 1 8.31
CHEMBL4085219 1 8.30
CHEMBL1751 DIGOXIN 4.0 1 8.26
CHEMBL4067657 1 8.00
CHEMBL1075788 CYMARIN -1.0 1 7.92
CHEMBL4072996 1 7.92
CHEMBL4074239 1 7.89
CHEMBL4077606 1 7.50
CHEMBL4093925 1 7.50
CHEMBL4072200 1 7.48
CHEMBL4095064 1 7.41
CHEMBL4087192 1 5.92
CHEMBL4095871 1 5.68
CHEMBL4095996 1 5.25
CHEMBL4063601 1 4.82
CHEMBL4069491 1 4.80
CHEMBL4081196 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4092961 IC50 = 0.011 nM 10.96
CHEMBL4059538 IC50 = 0.6 nM 9.22
CHEMBL4066361 IC50 = 1.4 nM 8.85
CHEMBL111743 STROPHANTHIDIN IC50 = 2.4 nM 8.62
CHEMBL4071710 IC50 = 4.0 nM 8.40
CHEMBL222863 OUABAIN IC50 = 4.3 nM 8.37
CHEMBL4076623 IC50 = 4.9 nM 8.31
CHEMBL4085219 IC50 = 5.0 nM 8.30
CHEMBL1751 DIGOXIN IC50 = 5.5 nM 8.26
CHEMBL4067657 IC50 = 10.0 nM 8.00
CHEMBL1075788 CYMARIN IC50 = 12.0 nM 7.92
CHEMBL4072996 IC50 = 12.0 nM 7.92
CHEMBL4074239 IC50 = 13.0 nM 7.89
CHEMBL4077606 IC50 = 32.0 nM 7.50
CHEMBL4093925 IC50 = 32.0 nM 7.50
CHEMBL4072200 IC50 = 33.0 nM 7.48
CHEMBL4095064 IC50 = 39.0 nM 7.41
CHEMBL4087192 IC50 = 1200.0 nM 5.92
CHEMBL4095871 IC50 = 2100.0 nM 5.68
CHEMBL4095996 IC50 = 5600.0 nM 5.25
CHEMBL4063601 IC50 = 15000.0 nM 4.82
CHEMBL4069491 IC50 = 16000.0 nM 4.80
CHEMBL4081196 IC50 = 0.0017 nM -