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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 = 'BDBM444984'   
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))		BDBM444984
PNG
(US10668094, Compound DcH-(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)C2CCCCC2)[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:60|
Show InChI InChI=1S/C47H75NO12/c1-26-24-48(31-9-7-6-8-10-31)18-15-40(55-26)59-43-27(2)57-42(23-37(43)50)60-44-28(3)56-41(22-36(44)49)58-32-13-16-45(4)30(20-32)11-12-34-35(45)21-38(51)46(5)33(14-17-47(34,46)53)29-19-39(52)54-25-29/h19,26-28,30-38,40-44,49-51,53H,6-18,20-25H2,1-5H3/t26?,27-,28-,30?,32-,33+,34?,35?,36-,37-,38-,40?,41-,42-,43+,44+,45-,46-,47-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 15.3n/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