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BDBM50255128 CHEMBL4067657

SMILES: [H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@H](CC[C@]45OCOC)C(O)C#C)OCOC)[C@@]13COC(C)(C)O2)OCOC

InChI Key: InChIKey=GWFVRNRITRYEHT-KCUWWNPASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255128   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
N+/K+ ATPase alpha-4/beta-1


(Rattus norvegicus)		BDBM50255128
PNG
(CHEMBL4067657)
Show SMILES [H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@H](CC[C@]45OCOC)C(O)C#C)OCOC)[C@@]13COC(C)(C)O2)OCOC |r|
Show InChI InChI=1S/C31H50O10/c1-8-23(32)21-10-12-31(40-19-36-7)22-9-11-29(33)14-20(37-17-34-5)13-25-30(29,16-39-27(2,3)41-25)26(22)24(38-18-35-6)15-28(21,31)4/h1,20-26,32-33H,9-19H2,2-7H3/t20-,21+,22+,23?,24+,25+,26+,28+,29-,30+,31-/m0/s1
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UniProtKB/SwissProt

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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...

J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
BindingDB Entry DOI: 10.7270/Q2T43WJH
More data for this
Ligand-Target Pair