Found 11 hits with Last Name = 'folpini' and Initial = 'e' 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) | 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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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 160 | 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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PC cid
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| PDB
Article
PubMed
| 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 | 
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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MCE
PC cid
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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) | 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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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| 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) | 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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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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) | 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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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| 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) | 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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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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) | 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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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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) | 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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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) | 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
MMDB
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UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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 | |
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