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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 = 'BDBM444979'   
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))		BDBM444979
PNG
(US10668094, Compound DiP)
Show SMILES CC(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:43|
Show InChI InChI=1S/C44H71NO12/c1-23(2)45-15-12-37(52-24(3)21-45)56-40-25(4)54-39(20-34(40)47)57-41-26(5)53-38(19-33(41)46)55-29-10-13-42(6)28(17-29)8-9-31-32(42)18-35(48)43(7)30(11-14-44(31,43)50)27-16-36(49)51-22-27/h16,23-26,28-35,37-41,46-48,50H,8-15,17-22H2,1-7H3/t24?,25-,26-,28?,29-,30+,31?,32?,33-,34-,35-,37?,38-,39-,40+,41+,42-,43-,44-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 16.7n/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