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SMILES: C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CCC(N)=O)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

InChI Key: InChIKey=AQPCHOHVULZQOC-OFXBXQNCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 231658   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM231658
PNG
(DPrN (9))
Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CCC(N)=O)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/C44H70N2O13/c1-23-21-46(14-10-35(45)50)15-11-37(54-23)58-40-24(2)56-39(20-33(40)48)59-41-25(3)55-38(19-32(41)47)57-28-8-12-42(4)27(17-28)6-7-30-31(42)18-34(49)43(5)29(9-13-44(30,43)52)26-16-36(51)53-22-26/h16,23-25,27-34,37-41,47-49,52H,6-15,17-22H2,1-5H3,(H2,45,50)/t23?,24-,25-,27?,28-,29+,30?,31?,32-,33-,34-,37?,38-,39-,40+,41+,42-,43-,44-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
47n/an/an/an/an/an/an/an/a



Weizmann Institute of Science



Assay Description
Inhibition of Na,K-ATPase activity of the detergent-soluble α1β1, α2β1, and α3β1 complexes by CGs was done exactly as d...


J Biol Chem 289: 21153-62 (2014)


Article DOI: 10.1074/jbc.M114.557629
BindingDB Entry DOI: 10.7270/Q2G44P6T
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1/beta-1


(Homo sapiens (Human))
BDBM231658
PNG
(DPrN (9))
Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CCC(N)=O)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/C44H70N2O13/c1-23-21-46(14-10-35(45)50)15-11-37(54-23)58-40-24(2)56-39(20-33(40)48)59-41-25(3)55-38(19-32(41)47)57-28-8-12-42(4)27(17-28)6-7-30-31(42)18-34(49)43(5)29(9-13-44(30,43)52)26-16-36(51)53-22-26/h16,23-25,27-34,37-41,47-49,52H,6-15,17-22H2,1-5H3,(H2,45,50)/t23?,24-,25-,27?,28-,29+,30?,31?,32-,33-,34-,37?,38-,39-,40+,41+,42-,43-,44-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
249n/an/an/an/an/an/an/an/a



Weizmann Institute of Science



Assay Description
Inhibition of Na,K-ATPase activity of the detergent-soluble α1β1, α2β1, and α3β1 complexes by CGs was done exactly as d...


J Biol Chem 289: 21153-62 (2014)


Article DOI: 10.1074/jbc.M114.557629
BindingDB Entry DOI: 10.7270/Q2G44P6T
More data for this
Ligand-Target Pair