Found 34 hits of ic50 for UniProtKB: P50997 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM46356
(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:45| Show InChI InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408112
(CHEMBL2069115)Show SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)\C=C\[N+]([O-])=O)C2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H43NO8/c1-15-21(29)22(30)23(31)24(35-15)36-18-7-10-25(2)17(14-18)4-5-20-19(25)8-11-26(3)16(9-13-28(33)34)6-12-27(20,26)32/h9,13,15-24,29-32H,4-8,10-12,14H2,1-3H3/b13-9+/t15-,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26+,27-/m0/s1 | PDB
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| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408116
(CHEMBL2069118)Show SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)\C=C\C(O)=O)C2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H44O8/c1-15-22(31)23(32)24(33)25(35-15)36-18-9-11-26(2)17(14-18)4-6-20-19(26)10-12-27(3)16(5-7-21(29)30)8-13-28(20,27)34/h5,7,15-20,22-25,31-34H,4,6,8-14H2,1-3H3,(H,29,30)/b7-5+/t15-,16-,17+,18-,19-,20+,22-,23+,24+,25-,26-,27+,28-/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408117
(CHEMBL2069066)Show SMILES COC(C[N+]([O-])=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H47NO9/c1-15-22(30)23(31)24(32)25(37-15)38-17-7-10-26(2)16(13-17)5-6-19-18(26)8-11-27(3)20(9-12-28(19,27)33)21(36-4)14-29(34)35/h15-25,30-33H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21?,22-,23+,24+,25-,26-,27+,28-/m0/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408111
(CHEMBL2069075)Show SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CC[N+]([O-])=O)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H45NO8/c1-15-21(29)22(30)23(31)24(35-15)36-18-7-10-25(2)17(14-18)4-5-20-19(25)8-11-26(3)16(9-13-28(33)34)6-12-27(20,26)32/h15-24,29-32H,4-14H2,1-3H3/t15-,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26+,27-/m0/s1 | PDB
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| n/a | n/a | 45.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50605867
(CHEMBL469045)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])C\C(CC[C@]12C)=N\OCCN |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00347
BindingDB Entry DOI: 10.7270/Q2JM2FQB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408276
(CHEMBL2068996)Show SMILES [#6][C@]12[#6]-[#6]-[#6@H]3-[#6@@H](-[#6]-[#6]-[#6@@H]4-[#6]-[#6@@H](-[#8])-[#6]-[#6][C@]34[#6])[C@@]1([#8])[#6]-[#6]-[#6@@H]2-[#6]=[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:24.28,22.26| Show InChI InChI=1S/C23H38N4O2/c1-21-10-8-17(28)14-16(21)5-6-19-18(21)9-11-22(2)15(7-12-23(19,22)29)4-3-13-26-27-20(24)25/h3-4,13,15-19,28-29H,5-12,14H2,1-2H3,(H4,24,25,27)/t15-,16+,17-,18-,19+,21-,22+,23-/m0/s1 | PDB
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Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408114
(CHEMBL2069070)Show SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CCC(O)=O)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46O8/c1-15-22(31)23(32)24(33)25(35-15)36-18-9-11-26(2)17(14-18)4-6-20-19(26)10-12-27(3)16(5-7-21(29)30)8-13-28(20,27)34/h15-20,22-25,31-34H,4-14H2,1-3H3,(H,29,30)/t15-,16-,17+,18-,19-,20+,22-,23+,24+,25-,26-,27+,28-/m0/s1 | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408439
(CHEMBL2068890)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C=O Show InChI InChI=1S/C22H34O3/c1-20-10-8-17(24)14-16(20)5-6-19-18(20)9-11-21(2)15(4-3-13-23)7-12-22(19,21)25/h3-4,13,15-19,24-25H,5-12,14H2,1-2H3/b4-3+/t15-,16+,17-,18-,19+,20-,21+,22-/m0/s1 | PDB
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Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408921
(CHEMBL2068972)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C=C\CCCN Show InChI InChI=1S/C26H43NO2/c1-24-14-12-21(28)18-20(24)9-10-23-22(24)13-15-25(2)19(11-16-26(23,25)29)8-6-4-3-5-7-17-27/h3-4,6,8,19-23,28-29H,5,7,9-18,27H2,1-2H3/b4-3+,8-6+/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1 | PDB
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Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM66977
(3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 |t:25| Show InChI InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1 | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM46355
(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46| Show InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 | PDB
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Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM46355
(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46| Show InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 | PDB
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Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM66977
(3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 |t:25| Show InChI InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1 | PDB
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Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408115
(CHEMBL2069067)Show SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CCO)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H46O7/c1-15-21(29)22(30)23(31)24(33-15)34-18-7-10-25(2)17(14-18)4-5-20-19(25)8-11-26(3)16(9-13-28)6-12-27(20,26)32/h15-24,28-32H,4-14H2,1-3H3/t15-,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26+,27-/m0/s1 | PDB
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| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408917
(CHEMBL2068902)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CCCCCCCN Show InChI InChI=1S/C26H47NO2/c1-24-14-12-21(28)18-20(24)9-10-23-22(24)13-15-25(2)19(11-16-26(23,25)29)8-6-4-3-5-7-17-27/h19-23,28-29H,3-18,27H2,1-2H3/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1 | PDB
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| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408275
(CHEMBL2068885)Show SMILES [#6][C@]12[#6]-[#6]-[#6@H]3-[#6@@H](-[#6]-[#6]-[#6@@H]4-[#6]-[#6@@H](-[#8])-[#6]-[#6][C@]34[#6])[C@@]1([#8])[#6]-[#6]-[#6@@H]2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |r,w:22.26| Show InChI InChI=1S/C21H36N4O2/c1-19-8-6-15(26)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)27)12-24-25-18(22)23/h12-17,26-27H,3-11H2,1-2H3,(H4,22,23,25)/t13-,14-,15+,16+,17-,19+,20-,21+/m1/s1 | PDB
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| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408916
(CHEMBL2068975)Show SMILES C\C(C=O)=C/[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C23H36O3/c1-15(14-24)12-17-6-11-23(26)20-5-4-16-13-18(25)7-9-21(16,2)19(20)8-10-22(17,23)3/h12,14,16-20,25-26H,4-11,13H2,1-3H3/b15-12+/t16-,17-,18+,19+,20-,21+,22-,23+/m1/s1 | PDB
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| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408119
(CHEMBL2069069)Show SMILES CC1OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CCN)CC[C@]43O)C2)C(O)C(O)C1O |r| Show InChI InChI=1S/C27H47NO6/c1-15-21(29)22(30)23(31)24(33-15)34-18-7-10-25(2)17(14-18)4-5-20-19(25)8-11-26(3)16(9-13-28)6-12-27(20,26)32/h15-24,29-32H,4-14,28H2,1-3H3/t15?,16-,17-,18+,19+,20-,21?,22?,23?,24?,25+,26-,27+/m1/s1 | PDB
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| n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408282
(CHEMBL2069057)Show SMILES [#6][C@]12[#6]-[#6]-[#6@H]3-[#6@@H](-[#6]-[#6]-[#6@@H]4-[#6]-[#6@@H](-[#8])-[#6]-[#6][C@]34[#6])[C@@]1([#8])[#6]-[#6]-[#6@@H]2-[#6]-[#7]\[#7]=[#6](\[#7])-[#7] |r| Show InChI InChI=1S/C21H38N4O2/c1-19-8-6-15(26)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)27)12-24-25-18(22)23/h13-17,24,26-27H,3-12H2,1-2H3,(H4,22,23,25)/t13-,14-,15+,16+,17-,19+,20-,21+/m1/s1 | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408113
(CHEMBL2069072)Show SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5CC[C@]43OC5)C2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C26H42O6/c1-14-20(27)21(28)22(29)23(31-14)32-17-7-9-24(2)15(12-17)4-5-19-18(24)8-10-25(3)16-6-11-26(19,25)30-13-16/h14-23,27-29H,4-13H2,1-3H3/t14-,15+,16+,17-,18-,19+,20-,21+,22+,23-,24-,25+,26-/m0/s1 | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408281
(CHEMBL2068935 | CHEMBL2068940)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C=CC=NNC1=NCCN1 |w:24.28,22.26,t:30| Show InChI InChI=1S/C25H40N4O2/c1-23-10-8-19(30)16-18(23)5-6-21-20(23)9-11-24(2)17(7-12-25(21,24)31)4-3-13-28-29-22-26-14-15-27-22/h3-4,13,17-21,30-31H,5-12,14-16H2,1-2H3,(H2,26,27,29)/t17-,18+,19-,20-,21+,23-,24+,25-/m0/s1 | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408118
(CHEMBL2069074)Show SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C(O)CN)C2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H47NO7/c1-14-21(30)22(31)23(32)24(34-14)35-16-6-9-25(2)15(12-16)4-5-18-17(25)7-10-26(3)19(20(29)13-28)8-11-27(18,26)33/h14-24,29-33H,4-13,28H2,1-3H3/t14-,15+,16-,17-,18+,19+,20?,21-,22+,23+,24-,25-,26+,27-/m0/s1 | PDB
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| n/a | n/a | 3.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408279
(CHEMBL2069128)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C1=CC(=O)OC1 |t:27| Show InChI InChI=1S/C25H36O4/c1-23-10-8-19(26)14-18(23)5-6-21-20(23)9-11-24(2)17(7-12-25(21,24)28)4-3-16-13-22(27)29-15-16/h3-4,13,17-21,26,28H,5-12,14-15H2,1-2H3/b4-3+/t17-,18+,19-,20-,21+,23-,24+,25-/m0/s1 | PDB
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| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408120
(CHEMBL2069071)Show SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CC[C@]43O)C(O)C[N+]([O-])=O)C2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H45NO9/c1-14-21(30)22(31)23(32)24(36-14)37-16-6-9-25(2)15(12-16)4-5-18-17(25)7-10-26(3)19(8-11-27(18,26)33)20(29)13-28(34)35/h14-24,29-33H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19-,20?,21-,22+,23+,24-,25-,26+,27-/m0/s1 | PDB
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| n/a | n/a | 4.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes |
J Med Chem 40: 1439-46 (1997)
Article DOI: 10.1021/jm960880l
BindingDB Entry DOI: 10.7270/Q2BK1D1C |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408280
(CHEMBL2068992)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C=NNC1=NCCCN1 |w:22.26,t:28| Show InChI InChI=1S/C24H40N4O2/c1-22-9-7-18(29)14-16(22)4-5-20-19(22)8-10-23(2)17(6-11-24(20,23)30)15-27-28-21-25-12-3-13-26-21/h15-20,29-30H,3-14H2,1-2H3,(H2,25,26,28)/t16-,17-,18+,19+,20-,22+,23-,24+/m1/s1 | PDB
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| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408920
(CHEMBL2069058)Show SMILES CN(C)CCO\N=C\C=C\C=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C28H46N2O3/c1-26-14-12-23(31)20-22(26)9-10-25-24(26)13-15-27(2)21(11-16-28(25,27)32)8-6-5-7-17-29-33-19-18-30(3)4/h5-8,17,21-25,31-32H,9-16,18-20H2,1-4H3/b7-5+,8-6+,29-17+/t21-,22+,23-,24-,25+,26-,27+,28-/m0/s1 | PDB
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| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408281
(CHEMBL2068935 | CHEMBL2068940)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C=CC=NNC1=NCCN1 |w:24.28,22.26,t:30| Show InChI InChI=1S/C25H40N4O2/c1-23-10-8-19(30)16-18(23)5-6-21-20(23)9-11-24(2)17(7-12-25(21,24)31)4-3-13-28-29-22-26-14-15-27-22/h3-4,13,17-21,30-31H,5-12,14-16H2,1-2H3,(H2,26,27,29)/t17-,18+,19-,20-,21+,23-,24+,25-/m0/s1 | PDB
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| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408278
(CHEMBL2068942)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C=NNC1=NCCN1 |w:22.26,t:28| Show InChI InChI=1S/C23H38N4O2/c1-21-8-6-17(28)13-15(21)3-4-19-18(21)7-9-22(2)16(5-10-23(19,22)29)14-26-27-20-24-11-12-25-20/h14-19,28-29H,3-13H2,1-2H3,(H2,24,25,27)/t15-,16-,17+,18+,19-,21+,22-,23+/m1/s1 | PDB
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| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408277
(CHEMBL2068936)Show SMILES [#6][C@]12[#6]-[#6]-[#6@H]3-[#6@@H](-[#6]-[#6]-[#6@@H]4-[#6]-[#6@@H](-[#8])-[#6]-[#6][C@]34[#6])[C@@]1([#8])[#6]-[#6]-[#6@@H]2-[#6]=[#6]-[#6]=[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:26.30,22.26,24.28| Show InChI InChI=1S/C25H40N4O2/c1-23-12-10-19(30)16-18(23)7-8-21-20(23)11-13-24(2)17(9-14-25(21,24)31)6-4-3-5-15-28-29-22(26)27/h3-6,15,17-21,30-31H,7-14,16H2,1-2H3,(H4,26,27,29)/t17-,18+,19-,20-,21+,23-,24+,25-/m0/s1 | PDB
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| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
Inhibition of Na+/K+ ATPase from dog kidney |
J Med Chem 40: 3484-8 (1997)
Article DOI: 10.1021/jm970312l
BindingDB Entry DOI: 10.7270/Q2SF2WVZ |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408915
(CHEMBL2068981)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C=O Show InChI InChI=1S/C20H32O3/c1-18-8-6-15(22)11-13(18)3-4-17-16(18)7-9-19(2)14(12-21)5-10-20(17,19)23/h12-17,22-23H,3-11H2,1-2H3/t13-,14-,15+,16+,17-,18+,19-,20+/m1/s1 | PDB
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408914
(CHEMBL2068977)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CCC=O Show InChI InChI=1S/C22H36O3/c1-20-10-8-17(24)14-16(20)5-6-19-18(20)9-11-21(2)15(4-3-13-23)7-12-22(19,21)25/h13,15-19,24-25H,3-12,14H2,1-2H3/t15-,16+,17-,18-,19+,20-,21+,22-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408918
(CHEMBL2068898 | CHEMBL2068976)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CN=O Show InChI InChI=1S/C20H33NO3/c1-18-8-6-15(22)11-13(18)3-4-17-16(18)7-9-19(2)14(12-21-24)5-10-20(17,19)23/h13-17,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+,19-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair | |
Sodium/potassium-transporting ATPase subunit alpha-1
(Canis familiaris) | BDBM50408918
(CHEMBL2068898 | CHEMBL2068976)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CN=O Show InChI InChI=1S/C20H33NO3/c1-18-8-6-15(22)11-13(18)3-4-17-16(18)7-9-19(2)14(12-21-24)5-10-20(17,19)23/h13-17,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+,19-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase |
J Med Chem 43: 2332-49 (2000)
BindingDB Entry DOI: 10.7270/Q2KP82VV |
More data for this
Ligand-Target Pair | |
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