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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-1' and Ligand = 'BDBM444980'   
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-1


(Homo sapiens (Human))		BDBM444980
PNG
(US10668094, Compound DcP-(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(CC(C)O2)C2CC2)[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:57|
Show InChI InChI=1S/C44H69NO12/c1-23-21-45(28-7-8-28)15-12-37(52-23)56-40-24(2)54-39(20-34(40)47)57-41-25(3)53-38(19-33(41)46)55-29-10-13-42(4)27(17-29)6-9-31-32(42)18-35(48)43(5)30(11-14-44(31,43)50)26-16-36(49)51-22-26/h16,23-25,27-35,37-41,46-48,50H,6-15,17-22H2,1-5H3/t23?,24-,25-,27?,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
 14.6n/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