Found 22 hits with Last Name = 'barassi' and Initial = 'p' 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 |
Potassium-transporting ATPase alpha chain 2
(Homo sapiens (Human)) | BDBM50408438
(CHEMBL2068911)Show SMILES CN(C)CCOC(=O)\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/C26H43NO4/c1-24-12-10-20(28)17-19(24)5-7-22-21(24)11-13-25(2)18(9-14-26(22,25)30)6-8-23(29)31-16-15-27(3)4/h6,8,18-22,28,30H,5,7,9-17H2,1-4H3/b8-6+/t18-,19+,20-,21-,22+,24-,25+,26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase |
J Med Chem 41: 3033-40 (1998)
Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K |
More data for this Ligand-Target Pair | |
Potassium-transporting ATPase alpha chain 2
(Homo sapiens (Human)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase |
J Med Chem 41: 3033-40 (1998)
Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K |
More data for this Ligand-Target Pair | |
Potassium-transporting ATPase alpha chain 2
(Homo sapiens (Human)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase |
J Med Chem 41: 3033-40 (1998)
Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K |
More data for this Ligand-Target Pair | |
Potassium-transporting ATPase alpha chain 2
(Homo sapiens (Human)) | BDBM50066032
(CHEMBL323301 | [(1R,4bR,7S,8aR)-7-Hydroxy-1,4b,8,8...)Show SMILES C[C@@H]1C2C(CC\C1=C/C(=O)OCCN(C)C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O Show InChI InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17?,19-,20-,22?,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase |
J Med Chem 41: 3033-40 (1998)
Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K |
More data for this Ligand-Target Pair | |
Potassium-transporting ATPase alpha chain 2
(Homo sapiens (Human)) | BDBM50066031
((E)-(S)-4-((2S,4bS,7S,8aR)-7-Hydroxy-2,4b-dimethyl...)Show SMILES CC[C@@H](\C=C\C(=O)OCCN(C)C)[C@]1(C)CCC2C(CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O Show InChI InChI=1S/C26H43NO4/c1-6-18(8-10-23(29)31-16-15-27(4)5)26(3)14-12-22-21(24(26)30)9-7-19-17-20(28)11-13-25(19,22)2/h8,10,18-22,28H,6-7,9,11-17H2,1-5H3/b10-8+/t18-,19+,20-,21?,22?,25-,26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase |
J Med Chem 41: 3033-40 (1998)
Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K |
More data for this Ligand-Target Pair | |
Potassium-transporting ATPase alpha chain 2
(Homo sapiens (Human)) | BDBM50066029
(4-[(S)-1-((2S,4bS,7S,8aR)-7-Hydroxy-2,4b-dimethyl-...)Show SMILES CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CCC2C(CC[C@@H]3C[C@@H](O)CC[C@]23C)C1 |t:3| Show InChI InChI=1S/C23H36O3/c1-4-19(16-11-21(25)26-14-16)22(2)9-8-20-15(13-22)5-6-17-12-18(24)7-10-23(17,20)3/h11,15,17-20,24H,4-10,12-14H2,1-3H3/t15?,17-,18+,19-,20?,22+,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase |
J Med Chem 41: 3033-40 (1998)
Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K |
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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
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) |
Potassium-transporting ATPase alpha chain 2
(Homo sapiens (Human)) | BDBM50066036
(4-[(R)-1-((2R,4bS,7S,8aR)-7-Hydroxy-2,4b-dimethyl-...)Show SMILES CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CCC2C(CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O |t:3| Show InChI InChI=1S/C23H34O4/c1-4-18(14-11-20(25)27-13-14)23(3)10-8-19-17(21(23)26)6-5-15-12-16(24)7-9-22(15,19)2/h11,15-19,24H,4-10,12-13H2,1-3H3/t15-,16+,17?,18-,19?,22+,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase |
J Med Chem 41: 3033-40 (1998)
Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K |
More data for this Ligand-Target Pair | |
Potassium-transporting ATPase alpha chain 2
(Homo sapiens (Human)) | BDBM50066034
((E)-(R)-4-((2R,4bS,7S,8aR)-7-Hydroxy-2,4b-dimethyl...)Show SMILES CC[C@H](\C=C\C(=O)OCCN(C)C)[C@@]1(C)CCC2C(CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O Show InChI InChI=1S/C26H43NO4/c1-6-18(8-10-23(29)31-16-15-27(4)5)26(3)14-12-22-21(24(26)30)9-7-19-17-20(28)11-13-25(19,22)2/h8,10,18-22,28H,6-7,9,11-17H2,1-5H3/b10-8+/t18-,19-,20+,21?,22?,25+,26-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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 Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase |
J Med Chem 41: 3033-40 (1998)
Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K |
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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar 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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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 | |
Potassium-transporting ATPase alpha chain 2
(Homo sapiens (Human)) | BDBM50408437
(CHEMBL2068917)Show SMILES COC(=O)\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/C23H36O4/c1-21-11-9-17(24)14-16(21)4-6-19-18(21)10-12-22(2)15(5-7-20(25)27-3)8-13-23(19,22)26/h5,7,15-19,24,26H,4,6,8-14H2,1-3H3/b7-5+/t15-,16+,17-,18-,19+,21-,22+,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase |
J Med Chem 41: 3033-40 (1998)
Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K |
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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
DrugBank KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB 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 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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| 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 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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 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 | |
Potassium-transporting ATPase alpha chain 2
(Homo sapiens (Human)) | BDBM50408440
(CHEMBL2068987)Show SMILES CN(C)CCOC(=O)\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/C26H43NO4/c1-24-12-10-20(28)17-19(24)5-7-22-21(24)11-13-25(2)18(9-14-26(22,25)30)6-8-23(29)31-16-15-27(3)4/h6,8,18-22,28,30H,5,7,9-17H2,1-4H3/b8-6+/t18-,19-,20+,21+,22-,24+,25+,26+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prassis Istituto di Ricerche Sigma-Tau
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase |
J Med Chem 41: 3033-40 (1998)
Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K |
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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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 MMDB
KEGG
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 | |