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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(CC(C)O2)C(CC(O)=O)CC(O)=O)[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=NANABAMEVNNEJN-AIIQWESJSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 231664   
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))
BDBM231664
PNG
(DbisGly (14))
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)C(CC(O)=O)CC(O)=O)[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:62|
Show InChI InChI=1S/C46H71NO16/c1-23-21-47(28(16-36(51)52)17-37(53)54)13-10-39(58-23)62-42-24(2)60-41(20-34(42)49)63-43-25(3)59-40(19-33(43)48)61-29-8-11-44(4)27(15-29)6-7-31-32(44)18-35(50)45(5)30(9-12-46(31,45)56)26-14-38(55)57-22-26/h14,23-25,27-35,39-43,48-50,56H,6-13,15-22H2,1-5H3,(H,51,52)(H,53,54)/t23?,24-,25-,27?,29-,30+,31?,32?,33-,34-,35-,39?,40-,41-,42+,43+,44-,45-,46-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
34.9n/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))
BDBM231664
PNG
(DbisGly (14))
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)C(CC(O)=O)CC(O)=O)[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:62|
Show InChI InChI=1S/C46H71NO16/c1-23-21-47(28(16-36(51)52)17-37(53)54)13-10-39(58-23)62-42-24(2)60-41(20-34(42)49)63-43-25(3)59-40(19-33(43)48)61-29-8-11-44(4)27(15-29)6-7-31-32(44)18-35(50)45(5)30(9-12-46(31,45)56)26-14-38(55)57-22-26/h14,23-25,27-35,39-43,48-50,56H,6-13,15-22H2,1-5H3,(H,51,52)(H,53,54)/t23?,24-,25-,27?,29-,30+,31?,32?,33-,34-,35-,39?,40-,41-,42+,43+,44-,45-,46-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
80n/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