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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 = 'BDBM231662'   
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))		BDBM231662
PNG
(DMeCF3 (13) | US10668094, Compound DCF3)
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(F)(F)F)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:58|
Show InChI InChI=1S/C43H66F3NO12/c1-22-19-47(21-43(44,45)46)13-10-35(54-22)58-38-23(2)56-37(18-32(38)49)59-39-24(3)55-36(17-31(39)48)57-27-8-11-40(4)26(15-27)6-7-29-30(40)16-33(50)41(5)28(9-12-42(29,41)52)25-14-34(51)53-20-25/h14,22-24,26-33,35-39,48-50,52H,6-13,15-21H2,1-5H3/t22?,23-,24-,26?,27-,28+,29?,30?,31-,32-,33-,35?,36-,37-,38+,39+,40-,41-,42-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 18.1n/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