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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-2' and Ligand = 'BDBM231661'   
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-2


(Homo sapiens (Human))		BDBM231661
PNG
(DEt (12) | US10668094, Compound DEt)
Show SMILES CCN1CCC(O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)C(CCC6C5C[C@H](O)[C@]5(C)[C@H](CC[C@]65O)C5=CC(=O)OC5)C4)O[C@H]3C)O[C@H]2C)OC(C)C1 |r,t:42|
Show InChI InChI=1S/C43H69NO12/c1-7-44-15-12-36(51-23(2)21-44)55-39-24(3)53-38(20-33(39)46)56-40-25(4)52-37(19-32(40)45)54-28-10-13-41(5)27(17-28)8-9-30-31(41)18-34(47)42(6)29(11-14-43(30,42)49)26-16-35(48)50-22-26/h16,23-25,27-34,36-40,45-47,49H,7-15,17-22H2,1-6H3/t23?,24-,25-,27?,28-,29+,30?,31?,32-,33-,34-,36?,37-,38-,39+,40+,41-,42-,43-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 16.4n/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