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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'melloni' and Initial = 'p'   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



CNS Line

Curated by ChEMBL


Assay Description
Evaluated for the affinity against Dopamine receptor D2 in rat striatal membranes

J Med Chem 31: 1466-71 (1988)


BindingDB Entry DOI: 10.7270/Q2KW5F21
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



CNS Line

Curated by ChEMBL


Assay Description
Evaluated for the affinity against Dopamine receptor D2 in rat striatal membranes

J Med Chem 31: 1466-71 (1988)


BindingDB Entry DOI: 10.7270/Q2KW5F21
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))		BDBM50408438
PNG
(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
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n/an/a 30n/an/an/an/an/an/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
PNG
(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
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n/an/a 60n/an/an/an/an/an/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
PNG
(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
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n/an/a 80n/an/an/an/an/an/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
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 100n/an/an/an/a7.4n/a



Newron Pharmaceuticals S.P.A.

US Patent


Assay Description
The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pell...

US Patent US9051240 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99J2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))		BDBM50066032
PNG
(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
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n/an/a 100n/an/an/an/an/an/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
PNG
((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
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n/an/a 120n/an/an/an/an/an/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
PNG
(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
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n/an/a 130n/an/an/an/an/an/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)		BDBM50408276
PNG
(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
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n/an/a 160n/an/an/an/an/an/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
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))		BDBM50066036
PNG
(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
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n/an/a 200n/an/an/an/an/an/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))		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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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
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM161094
PNG
(US9051240, (S)-(+)-2-[4-(2-Fluorobenzyloxy)-benzyl...)
Show SMILES C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 200n/an/an/an/a7.4n/a



Newron Pharmaceuticals S.P.A.

US Patent


Assay Description
The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pell...

US Patent US9051240 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99J2
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1


(Canis familiaris)		BDBM50408439
PNG
(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
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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
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))		BDBM50066034
PNG
((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
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n/an/a 250n/an/an/an/an/an/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)		BDBM50408921
PNG
(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
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n/an/a 320n/an/an/an/an/an/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
PNG
(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
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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)		BDBM66977
PNG
(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
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n/an/a 500n/an/an/an/an/an/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
PNG
(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
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n/an/a 500n/an/an/an/an/an/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
3D Structure (crystal)
Sodium/potassium-transporting ATPase subunit alpha-1


(Canis familiaris)		BDBM46355
PNG
(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
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n/an/a 500n/an/an/an/an/an/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
3D Structure (crystal)
Sodium/potassium-transporting ATPase subunit alpha-1


(Canis familiaris)		BDBM66977
PNG
(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
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n/an/a 500n/an/an/an/an/an/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
PNG
(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
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n/an/a 1.25E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 1.58E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 1.58E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 2.00E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 2.50E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 3.98E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 5.00E+3n/an/an/an/an/an/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
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))		BDBM50408440
PNG
(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
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n/an/a 5.89E+3n/an/an/an/an/an/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))		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
Sodium/potassium-transporting ATPase subunit alpha-1


(Canis familiaris)		BDBM50408920
PNG
(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
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n/an/a 6.30E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 6.31E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 6.31E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 7.94E+3n/an/an/an/an/an/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
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
Sodium/potassium-transporting ATPase subunit alpha-1


(Canis familiaris)		BDBM50408915
PNG
(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
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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
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
PNG
(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
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n/an/a 4.00E+4n/an/an/an/an/an/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))		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
Sodium/potassium-transporting ATPase subunit alpha-1


(Canis familiaris)		BDBM50408918
PNG
(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
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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
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
PNG
(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
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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
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
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM161089
PNG
(US9051240, 2-[2-(3-Butoxyphenyl)-ethylamino]-N-met...)
Show SMILES CCCCOc1cccc(CCNCC(=O)NC)c1
Show InChI InChI=1S/C15H24N2O2/c1-3-4-10-19-14-7-5-6-13(11-14)8-9-17-12-15(18)16-2/h5-7,11,17H,3-4,8-10,12H2,1-2H3,(H,16,18)
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n/an/a 1.10E+5n/an/an/an/a7.4n/a



Newron Pharmaceuticals S.P.A.

US Patent


Assay Description
The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pell...

US Patent US9051240 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99J2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM161090
PNG
(US9051240, 2-[2-(3-Butoxyphenyl)-ethylamino]-N,N-d...)
Show SMILES CCCCOc1cccc(CCNCC(=O)N(C)C)c1
Show InChI InChI=1S/C16H26N2O2/c1-4-5-11-20-15-8-6-7-14(12-15)9-10-17-13-16(19)18(2)3/h6-8,12,17H,4-5,9-11,13H2,1-3H3
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n/an/a 2.31E+5n/an/an/an/a7.4n/a



Newron Pharmaceuticals S.P.A.

US Patent


Assay Description
The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pell...

US Patent US9051240 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99J2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM161093
PNG
(US9051240, 2-[2-(3-Butoxyphenyl)-ethylamino]-N,N-d...)
Show SMILES CCCCOc1cccc(CCNC(C)C(=O)N(C)C)c1
Show InChI InChI=1S/C17H28N2O2/c1-5-6-12-21-16-9-7-8-15(13-16)10-11-18-14(2)17(20)19(3)4/h7-9,13-14,18H,5-6,10-12H2,1-4H3
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n/an/a>3.00E+5n/an/an/an/a7.4n/a



Newron Pharmaceuticals S.P.A.

US Patent


Assay Description
The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pell...

US Patent US9051240 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99J2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM161091
PNG
(US9051240, 2-[2-(3-Butoxy-2,6-difluorophenyl)-ethy...)
Show SMILES CCCCOc1ccc(F)c(CCNCC(=O)N(C)C)c1F
Show InChI InChI=1S/C16H24F2N2O2/c1-4-5-10-22-14-7-6-13(17)12(16(14)18)8-9-19-11-15(21)20(2)3/h6-7,19H,4-5,8-11H2,1-3H3
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n/an/a>3.00E+5n/an/an/an/a7.4n/a



Newron Pharmaceuticals S.P.A.

US Patent


Assay Description
The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pell...

US Patent US9051240 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99J2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM161092
PNG
(US9051240, 2-[2-(3-Butoxy-4-methoxyphenyl)-ethylam...)
Show SMILES CCCCOc1cc(CCNCC(=O)N(C)C)ccc1OC
Show InChI InChI=1S/C17H28N2O3/c1-5-6-11-22-16-12-14(7-8-15(16)21-4)9-10-18-13-17(20)19(2)3/h7-8,12,18H,5-6,9-11,13H2,1-4H3
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n/an/a>3.00E+5n/an/an/an/a7.4n/a



Newron Pharmaceuticals S.P.A.

US Patent


Assay Description
The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pell...

US Patent US9051240 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99J2
More data for this
Ligand-Target Pair