Found 11 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 250 | 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) | 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
MMDB
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UniProtKB/SwissProt
B.MOAD
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 320 | 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) | 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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| 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
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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| 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
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) | 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) | 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) | 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) | 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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| CHEMBL
PC cid
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UniChem
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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
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| 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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