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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-3' and Ligand = 'BDBM231660'   
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-3


(Homo sapiens (Human))		BDBM231660
PNG
(DMe (11) | US10668094, Compound DMe)
Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(C)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:54|
Show InChI InChI=1S/C42H67NO12/c1-22-20-43(6)14-11-35(50-22)54-38-23(2)52-37(19-32(38)45)55-39-24(3)51-36(18-31(39)44)53-27-9-12-40(4)26(16-27)7-8-29-30(40)17-33(46)41(5)28(10-13-42(29,41)48)25-15-34(47)49-21-25/h15,22-24,26-33,35-39,44-46,48H,7-14,16-21H2,1-6H3/t22?,23-,24-,26?,27-,28+,29?,30?,31-,32-,33-,35?,36-,37-,38+,39+,40-,41-,42-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 10.8n/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