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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with Target = 'Polyamine oxidase'   
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
Polyamine oxidase


(Zea mays)
BDBM50294105
PNG
(1-(Guanidino)-17-(N1-(methylcyclopropyl)guanidino)...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]-[#6]-1-[#6]-[#6]-1 |w:21.20|
Show InChI InChI=1S/C22H47N7/c23-21(24)27-17-11-7-3-1-5-9-15-26-16-10-6-2-4-8-12-18-28-22(25)29-19-20-13-14-20/h20,26H,1-19H2,(H4,23,24,27)(H3,25,28,29)
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0.0800n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294107
PNG
(1-(Guanidino)-17-(N1-(beta-methylallyl)guanidino)-...)
Show SMILES [#6]-[#6](=[#6])-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C23H49N7/c1-21(2)15-20-30-23(26)29-19-14-10-6-4-8-12-17-27-16-11-7-3-5-9-13-18-28-22(24)25/h27H,1,3-20H2,2H3,(H4,24,25,28)(H3,26,29,30)
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0.5n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294109
PNG
(1-(Guanidino)-17-(N1-(propargyl)guanidino)-9-azahe...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]C#C |w:21.20|
Show InChI InChI=1S/C21H43N7/c1-2-15-27-21(24)28-19-14-10-6-4-8-12-17-25-16-11-7-3-5-9-13-18-26-20(22)23/h1,25H,3-19H2,(H4,22,23,26)(H3,24,27,28)
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0.700n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294108
PNG
(1-(Guanidino)-17-(N1-(benzyl)guanidino)-9-azahepta...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]-c1ccccc1 |w:21.20|
Show InChI InChI=1S/C25H47N7/c26-24(27)30-20-14-7-3-1-5-12-18-29-19-13-6-2-4-8-15-21-31-25(28)32-22-23-16-10-9-11-17-23/h9-11,16-17,29H,1-8,12-15,18-22H2,(H4,26,27,30)(H3,28,31,32)
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1n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294106
PNG
(1-(Guanidino)-17-(N1-(gamma-methylallyl)guanidino)...)
Show SMILES [#6]\[#6]=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:7.7|
Show InChI InChI=1S/C22H47N7/c1-2-3-18-28-22(25)29-20-15-11-7-5-9-13-17-26-16-12-8-4-6-10-14-19-27-21(23)24/h2-3,26H,4-20H2,1H3,(H4,23,24,27)(H3,25,28,29)/b3-2+
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1.10n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294110
PNG
(1,1'-(8,8'-azanediylbis(octane-8,1-diyl))bis(3-(3-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]\[#6]=[#6](\[#6])-[#6] |w:29.29,8.8|
Show InChI InChI=1S/C28H57N7/c1-25(2)17-23-34-27(29)32-21-15-11-7-5-9-13-19-31-20-14-10-6-8-12-16-22-33-28(30)35-24-18-26(3)4/h17-18,31H,5-16,19-24H2,1-4H3,(H3,29,32,34)(H3,30,33,35)
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1.70n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294104
PNG
(1-(Guanidino)-17-(N1-(gamma,gamma-dimethylallyl)gu...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C23H49N7/c1-21(2)15-20-30-23(26)29-19-14-10-6-4-8-12-17-27-16-11-7-3-5-9-13-18-28-22(24)25/h15,27H,3-14,16-20H2,1-2H3,(H4,24,25,28)(H3,26,29,30)
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3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50032500
PNG
(1,1'-(8,8'-azanediylbis(octane-8,1-diyl))diguanidi...)
Show SMILES NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N
Show InChI InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
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7.5n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyamine oxidase


(Zea mays)
BDBM50294112
PNG
(1-(5-aminopentyl)-3-(3-methylbut-2-enyl)guanidine ...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7] |w:8.8|
Show InChI InChI=1S/C11H24N4/c1-10(2)6-9-15-11(13)14-8-5-3-4-7-12/h6H,3-5,7-9,12H2,1-2H3,(H3,13,14,15)
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10n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294111
PNG
(1-(4-aminobutyl)-3-(3-methylbut-2-enyl)guanidine |...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#7] |w:8.8|
Show InChI InChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13,14)
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15n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294113
PNG
(1-(6-aminohexyl)-3-(3-methylbut-2-enyl)guanidine |...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7] |w:8.8|
Show InChI InChI=1S/C12H26N4/c1-11(2)7-10-16-12(14)15-9-6-4-3-5-8-13/h7H,3-6,8-10,13H2,1-2H3,(H3,14,15,16)
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22n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50015358
PNG
(CHEMBL417844 | N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE...)
Show SMILES C=C=CCNCCCCNCC=C=C
Show InChI InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver


J Med Chem 28: 1-2 (1985)


BindingDB Entry DOI: 10.7270/Q2445KHW
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405943
PNG
(CHEMBL176596)
Show SMILES CN(C)CCCNCCCCCC(C)=O
Show InChI InChI=1S/C12H26N2O/c1-12(15)8-5-4-6-9-13-10-7-11-14(2)3/h13H,4-11H2,1-3H3
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96n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM152706
PNG
(Chlorhexidine | Chlorhexidine (1))
Show SMILES Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
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100 -40.0n/an/an/an/an/a7.525



University Roma Tre



Assay Description
The APAO and SMO activities were measured spectrophotometrically by following the formation of a pink adduct (ε515 nm = 2.6 10^4 M−1 cm&...


J Enzyme Inhib Med Chem 28: 463-7 (2013)


BindingDB Entry DOI: 10.7270/Q2X065ZW
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405931
PNG
(CHEMBL367753)
Show SMILES CCN(CC)CCCNCCCCCC(C)=O
Show InChI InChI=1S/C14H30N2O/c1-4-16(5-2)13-9-12-15-11-8-6-7-10-14(3)17/h15H,4-13H2,1-3H3
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100n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294114
PNG
(1-allyl-3-(4-aminobutyl)guanidine | CHEMBL541766)
Show SMILES NCCCCN=C(N)NCC=C |w:5.4|
Show InChI InChI=1S/C8H18N4/c1-2-6-11-8(10)12-7-4-3-5-9/h2H,1,3-7,9H2,(H3,10,11,12)
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130n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405937
PNG
(CHEMBL173782)
Show SMILES CC(=O)CCCCCNCCCN
Show InChI InChI=1S/C10H22N2O/c1-10(13)6-3-2-4-8-12-9-5-7-11/h12H,2-9,11H2,1H3
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180n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294095
PNG
(1-(4-aminobutyl)-3-(prop-2-ynyl)guanidine | CHEMBL...)
Show SMILES NCCCCN=C(N)NCC#C |w:5.4|
Show InChI InChI=1S/C8H16N4/c1-2-6-11-8(10)12-7-4-3-5-9/h1H,3-7,9H2,(H3,10,11,12)
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250n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50129716
PNG
(1,8-diaminooctane | CHEMBL29392 | OCTANE 1,8-DIAMI...)
Show SMILES NCCCCCCCCN
Show InChI InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
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300n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50026232
PNG
(CHEMBL293698 | N-Buta-2,3-dienyl-N'-methyl-butane-...)
Show SMILES CNCCCCNCC=C=C
Show InChI InChI=1S/C9H18N2/c1-3-4-8-11-9-6-5-7-10-2/h4,10-11H,1,5-9H2,2H3
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver


J Med Chem 28: 1-2 (1985)


BindingDB Entry DOI: 10.7270/Q2445KHW
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294094
PNG
(1-(4-aminobutyl)-3-(4-fluorophenyl)guanidine | CHE...)
Show SMILES NCCCCN=C(N)Nc1ccc(F)cc1 |w:5.4|
Show InChI InChI=1S/C11H17FN4/c12-9-3-5-10(6-4-9)16-11(14)15-8-2-1-7-13/h3-6H,1-2,7-8,13H2,(H3,14,15,16)
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630n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405942
PNG
(CHEMBL175345)
Show SMILES CN1CCN(CCCCCC(C)=O)CC1
Show InChI InChI=1S/C12H24N2O/c1-12(15)6-4-3-5-7-14-10-8-13(2)9-11-14/h3-11H2,1-2H3
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630n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294103
PNG
(4-[N3-gamma,gamma-Dimethyallyl)guanidino]-1-guanid...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C11H24N6/c1-9(2)5-8-17-11(14)16-7-4-3-6-15-10(12)13/h5H,3-4,6-8H2,1-2H3,(H4,12,13,15)(H3,14,16,17)
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700n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50026231
PNG
(CHEMBL59622 | N*1*-Buta-2,3-dienyl-butane-1,4-diam...)
Show SMILES NCCCCNCC=C=C
Show InChI InChI=1S/C8H16N2/c1-2-3-7-10-8-5-4-6-9/h3,10H,1,4-9H2
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700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver


J Med Chem 28: 1-2 (1985)


BindingDB Entry DOI: 10.7270/Q2445KHW
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405939
PNG
(CHEMBL175307)
Show SMILES CC(=O)CCCCCNCCCN1CCOCC1
Show InChI InChI=1S/C14H28N2O2/c1-14(17)6-3-2-4-7-15-8-5-9-16-10-12-18-13-11-16/h15H,2-13H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294100
PNG
(CHEMBL550832 | N1-(5-Aminopentyl)-N3-(3-methoxyben...)
Show SMILES COc1cccc(CNC(N)=NCCCCCN)c1 |w:11.11|
Show InChI InChI=1S/C14H24N4O/c1-19-13-7-5-6-12(10-13)11-18-14(16)17-9-4-2-3-8-15/h5-7,10H,2-4,8-9,11,15H2,1H3,(H3,16,17,18)
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1.15E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294102
PNG
(CHEMBL553638 | N1-[3'-Aminopropyl)-3-aminopropyl]-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#7] |w:8.8|
Show InChI InChI=1S/C12H27N5/c1-11(2)5-10-17-12(14)16-9-4-8-15-7-3-6-13/h5,15H,3-4,6-10,13H2,1-2H3,(H3,14,16,17)
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1.21E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294096
PNG
(CHEMBL561237 | N-(3-Methyl-but-2-enyl)-N'-{4-[N'-(...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]\[#6]=[#6](\[#6])-[#6] |w:16.16,8.8|
Show InChI InChI=1S/C16H32N6/c1-13(2)7-11-21-15(17)19-9-5-6-10-20-16(18)22-12-8-14(3)4/h7-8H,5-6,9-12H2,1-4H3,(H3,17,19,21)(H3,18,20,22)
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1.50E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294099
PNG
(CHEMBL561962 | N1-(5-Aminopentyl)-N3[(E)-3-phenyl-...)
Show SMILES NCCCCCN=C(N)NC\C=C\c1ccccc1 |w:6.5|
Show InChI InChI=1S/C15H24N4/c16-11-5-2-6-12-18-15(17)19-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10H,2,5-6,11-13,16H2,(H3,17,18,19)/b10-7+
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1.53E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Mus musculus)
BDBM50015358
PNG
(CHEMBL417844 | N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE...)
Show SMILES C=C=CCNCCCCNCC=C=C
Show InChI InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2
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1.70E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against polyamine oxidase after intraperitoneal administration in the rat liver


J Med Chem 33: 1369-75 (1990)


BindingDB Entry DOI: 10.7270/Q2RN38F8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyamine oxidase


(Zea mays)
BDBM50294097
PNG
(CHEMBL550629 | N1-(5-Aminopentyl)-N3-(cyclohexylet...)
Show SMILES NCCCCCN=C(N)NCCC1CCCCC1 |w:6.5|
Show InChI InChI=1S/C14H30N4/c15-10-5-2-6-11-17-14(16)18-12-9-13-7-3-1-4-8-13/h13H,1-12,15H2,(H3,16,17,18)
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1.72E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50018055
PNG
(7-Amino-heptan-2-one | CHEMBL176843)
Show SMILES CC(=O)CCCCCN
Show InChI InChI=1S/C7H15NO/c1-7(9)5-3-2-4-6-8/h2-6,8H2,1H3
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2.20E+3n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Inhibition of deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Polyamine oxidase


(Mus musculus)
BDBM50368113
PNG
(CHEMBL1202500)
Show SMILES C=C=CCNCCCNCCCCCCCCNCCCNCC=C=C
Show InChI InChI=1S/C22H42N4/c1-3-5-15-23-19-13-21-25-17-11-9-7-8-10-12-18-26-22-14-20-24-16-6-4-2/h5-6,23-26H,1-2,7-22H2
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2.50E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against polyamine oxidase after intraperitoneal administration in the rat liver


J Med Chem 33: 1369-75 (1990)


BindingDB Entry DOI: 10.7270/Q2RN38F8
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294098
PNG
(CHEMBL552343 | N1-(5-Aminopentyl)-N3-(cyclopropylm...)
Show SMILES NCCCCCN=C(N)NCC1CC1 |w:6.5|
Show InChI InChI=1S/C10H22N4/c11-6-2-1-3-7-13-10(12)14-8-9-4-5-9/h9H,1-8,11H2,(H3,12,13,14)
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2.58E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Mus musculus)
BDBM50015357
PNG
(Buta-2,3-dienyl-[3-(3-buta-2,3-dienylamino-propyla...)
Show SMILES C=C=CCNCCCNCCCNCC=C=C
Show InChI InChI=1S/C14H25N3/c1-3-5-9-15-11-7-13-17-14-8-12-16-10-6-4-2/h5-6,15-17H,1-2,7-14H2
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3.00E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against polyamine oxidase after intraperitoneal administration in the rat liver


J Med Chem 33: 1369-75 (1990)


BindingDB Entry DOI: 10.7270/Q2RN38F8
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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3.00E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294101
PNG
(CHEMBL558092 | N1-Benzylamine-N3-(gamma,gamma-dime...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-c1ccc(-[#6]-[#7])cc1 |w:8.8|
Show InChI InChI=1S/C13H20N4/c1-10(2)7-8-16-13(15)17-12-5-3-11(9-14)4-6-12/h3-7H,8-9,14H2,1-2H3,(H3,15,16,17)
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1.80E+4n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405932
PNG
(CHEMBL176530)
Show SMILES CCCNCCCCNC(C)=O
Show InChI InChI=1S/C9H20N2O/c1-3-6-10-7-4-5-8-11-9(2)12/h10H,3-8H2,1-2H3,(H,11,12)
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2.60E+4n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405935
PNG
(CHEMBL177305)
Show SMILES CC(=O)NCCCCCCN
Show InChI InChI=1S/C8H18N2O/c1-8(11)10-7-5-3-2-4-6-9/h2-7,9H2,1H3,(H,10,11)
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3.10E+4n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405928
PNG
(CHEMBL174669)
Show SMILES CC(=O)NCCCCCCCCN
Show InChI InChI=1S/C10H22N2O/c1-10(13)12-9-7-5-3-2-4-6-8-11/h2-9,11H2,1H3,(H,12,13)
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7.50E+4n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405940
PNG
(CHEMBL177890)
Show SMILES CC(=O)NCCCCCCCCCCN
Show InChI InChI=1S/C12H26N2O/c1-12(15)14-11-9-7-5-3-2-4-6-8-10-13/h2-11,13H2,1H3,(H,14,15)
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1.10E+5n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405930
PNG
(CHEMBL174887)
Show SMILES NCCCCCCNC(=O)CCl
Show InChI InChI=1S/C8H17ClN2O/c9-7-8(12)11-6-4-2-1-3-5-10/h1-7,10H2,(H,11,12)
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1.30E+5n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405934
PNG
(CHEMBL176764)
Show SMILES COC(=O)NCCCCCCCCN
Show InChI InChI=1S/C10H22N2O2/c1-14-10(13)12-9-7-5-3-2-4-6-8-11/h2-9,11H2,1H3,(H,12,13)
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2.60E+5n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50026230
PNG
(CHEMBL59623 | N-Methyl-N'-prop-2-ynyl-butane-1,4-d...)
Show SMILES CNCCCCNCC#C
Show InChI InChI=1S/C8H16N2/c1-3-6-10-8-5-4-7-9-2/h1,9-10H,4-8H2,2H3
UniProtKB/SwissProt

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3.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver


J Med Chem 28: 1-2 (1985)


BindingDB Entry DOI: 10.7270/Q2445KHW
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405929
PNG
(CHEMBL436093)
Show SMILES CS(=O)(=O)NCCCCCCN
Show InChI InChI=1S/C7H18N2O2S/c1-12(10,11)9-7-5-3-2-4-6-8/h9H,2-8H2,1H3
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3.76E+5n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50026233
PNG
(CHEMBL292770 | N*1*-Prop-2-ynyl-butane-1,4-diamine)
Show SMILES NCCCCNCC#C
Show InChI InChI=1S/C7H14N2/c1-2-6-9-7-4-3-5-8/h1,9H,3-8H2
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4.25E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver


J Med Chem 28: 1-2 (1985)


BindingDB Entry DOI: 10.7270/Q2445KHW
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405941
PNG
(CHEMBL177777)
Show SMILES CS(=O)(=O)NCCCCCCCCN
Show InChI InChI=1S/C9H22N2O2S/c1-14(12,13)11-9-7-5-3-2-4-6-8-10/h11H,2-10H2,1H3
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6.50E+5n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405938
PNG
(CHEMBL81241)
Show SMILES CC(=O)NCCCCN
Show InChI InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
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KEGG
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8.00E+5n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405933
PNG
(CHEMBL176800)
Show SMILES CC(=O)NCCCNCCCCN
Show InChI InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)
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1.37E+6n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50405936
PNG
(CHEMBL177217)
Show SMILES CCCC(=O)NCCCCN
Show InChI InChI=1S/C8H18N2O/c1-2-5-8(11)10-7-4-3-6-9/h2-7,9H2,1H3,(H,10,11)
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2.90E+7n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver.


J Med Chem 32: 984-9 (1989)


BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair