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PubMed code 12904068

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50131828
PNG
((E,Z)10,13-Dimethyl-tetradecahydro-cyclopenta[a]ph...)
Show SMILES C[C@]12CCC3C(CC(=O)[C@H]4C\C(CC[C@]34C)=N\OCCN)[C@@H]1CCC2=O
Show InChI InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14?,15-,16?,17+,20+,21-/m0/s1
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PubMed
n/an/a 200n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Inhibitory activity against Na+/K+ ATPase


J Med Chem 46: 3644-54 (2003)


Article DOI: 10.1021/jm030830y
BindingDB Entry DOI: 10.7270/Q24T6K47
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50131829
PNG
((E)4,10,13-Trimethyl-tetradecahydro-cyclopenta[a]p...)
Show SMILES C[C@H]1[C@@H]2C(=O)CC3[C@@H]4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CC\C1=N/OCCN
Show InChI InChI=1S/C22H34N2O3/c1-13-17(24-27-11-10-23)7-9-22(3)16-6-8-21(2)15(4-5-19(21)26)14(16)12-18(25)20(13)22/h13-16,20H,4-12,23H2,1-3H3/b24-17+/t13-,14?,15+,16?,20-,21+,22-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Inhibitory activity against Na+/K+ ATPase


J Med Chem 46: 3644-54 (2003)


Article DOI: 10.1021/jm030830y
BindingDB Entry DOI: 10.7270/Q24T6K47
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50131821
PNG
((E,Z)10,13-Dimethyl-tetradecahydro-cyclopenta[a]ph...)
Show SMILES CN(C)CCO\N=C1/CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CCC4=O)C3CC(=O)[C@H]2C1
Show InChI InChI=1S/C23H36N2O3/c1-22-9-7-15(24-28-12-11-25(3)4)13-19(22)20(26)14-16-17-5-6-21(27)23(17,2)10-8-18(16)22/h16-19H,5-14H2,1-4H3/b24-15+/t16?,17-,18?,19+,22+,23-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Inhibitory activity against Na+/K+ ATPase measured by 32P-ATP hydrolysis method


J Med Chem 46: 3644-54 (2003)


Article DOI: 10.1021/jm030830y
BindingDB Entry DOI: 10.7270/Q24T6K47
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50131832
PNG
((E)2,10,13-Trimethyl-tetradecahydro-cyclopenta[a]p...)
Show SMILES C[C@@H]1C[C@]2(C)C3CC[C@@]4(C)[C@@H](CCC4=O)C3CC(=O)[C@H]2C\C1=N\OCCN
Show InChI InChI=1S/C22H34N2O3/c1-13-12-22(3)16-6-7-21(2)15(4-5-20(21)26)14(16)10-19(25)17(22)11-18(13)24-27-9-8-23/h13-17H,4-12,23H2,1-3H3/b24-18-/t13-,14?,15+,16?,17-,21+,22-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Inhibitory activity against Na+/K+ ATPase


J Med Chem 46: 3644-54 (2003)


Article DOI: 10.1021/jm030830y
BindingDB Entry DOI: 10.7270/Q24T6K47
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50131823
PNG
((E,Z)6,17-Dihydroxy-10,13-dimethyl-hexadecahydro-c...)
Show SMILES CN(C)CCO\N=C1/CC[C@]2(C)C3CC[C@]4(C)C(O)CC[C@H]4C3C[C@@H](O)[C@H]2C1
Show InChI InChI=1S/C23H40N2O3/c1-22-9-7-15(24-28-12-11-25(3)4)13-19(22)20(26)14-16-17-5-6-21(27)23(17,2)10-8-18(16)22/h16-21,26-27H,5-14H2,1-4H3/b24-15+/t16?,17-,18?,19+,20+,21?,22+,23-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Inhibitory activity against Na+/K+ ATPase was determined in guinea pig


J Med Chem 46: 3644-54 (2003)


Article DOI: 10.1021/jm030830y
BindingDB Entry DOI: 10.7270/Q24T6K47
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%