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Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/potassium-transporting ATPase subunit alpha-2/beta-2' and Ligand = 'BDBM444991'   
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))		BDBM444991
PNG
(US10668094, Compound DMDMcB-(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(CC3CC(C)(C)C3)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:61|
Show InChI InChI=1S/C48H77NO12/c1-26-23-49(24-29-21-45(4,5)22-29)15-12-40(56-26)60-43-27(2)58-42(20-37(43)51)61-44-28(3)57-41(19-36(44)50)59-32-10-13-46(6)31(17-32)8-9-34-35(46)18-38(52)47(7)33(11-14-48(34,47)54)30-16-39(53)55-25-30/h16,26-29,31-38,40-44,50-52,54H,8-15,17-25H2,1-7H3/t26?,27-,28-,31?,32-,33+,34?,35?,36-,37-,38-,40?,41-,42-,43+,44+,46-,47-,48-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 5.10n/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