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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 = 'BDBM444977'   
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))		BDBM444977
PNG
(US10668094, Compound DiB)
Show SMILES CCC(C)N1CCC(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:44|
Show InChI InChI=1S/C45H73NO12/c1-8-24(2)46-16-13-38(53-25(3)22-46)57-41-26(4)55-40(21-35(41)48)58-42-27(5)54-39(20-34(42)47)56-30-11-14-43(6)29(18-30)9-10-32-33(43)19-36(49)44(7)31(12-15-45(32,44)51)28-17-37(50)52-23-28/h17,24-27,29-36,38-42,47-49,51H,8-16,18-23H2,1-7H3/t24?,25?,26-,27-,29?,30-,31+,32?,33?,34-,35-,36-,38?,39-,40-,41+,42+,43-,44-,45-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 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