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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/potassium-transporting ATPase subunit alpha-2/beta-1' and Ligand = 'BDBM444981'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium/potassium-transporting ATPase subunit alpha-2/beta-1


(Homo sapiens (Human))		BDBM444981
PNG
(US10668094, Compound DEcP-(cyclic))
Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CCC3CC3)CC(C)O2)[C@H](C)O1)O[C@H]1CC[C@@]2(C)C(CCC3C2C[C@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1 |r,t:59|
Show InChI InChI=1S/C46H73NO12/c1-25-23-47(16-12-28-6-7-28)17-13-39(54-25)58-42-26(2)56-41(22-36(42)49)59-43-27(3)55-40(21-35(43)48)57-31-10-14-44(4)30(19-31)8-9-33-34(44)20-37(50)45(5)32(11-15-46(33,45)52)29-18-38(51)53-24-29/h18,25-28,30-37,39-43,48-50,52H,6-17,19-24H2,1-5H3/t25?,26-,27-,30?,31-,32+,33?,34?,35-,36-,37-,39?,40-,41-,42+,43+,44-,45-,46-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 14.3n/an/an/an/an/an/an/an/a



Yeda Research and Development Co. Ltd.

US Patent


Assay Description
To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isofo...

US Patent US10668094 (2020)


BindingDB Entry DOI: 10.7270/Q2FX7DH9
More data for this
Ligand-Target Pair