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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 129.2
BDBM50018055
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Wt: 192.3
BDBM50015358
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Wt: 140.2
BDBM50026230
Wt: 140.2
BDBM50026231
Wt: 154.2
BDBM50026232
Wt: 126.1
BDBM50026233
Wt: 186.2
BDBM50405928
Wt: 194.2
BDBM50405929
Wt: 192.6
BDBM50405930
Wt: 172.2
BDBM50405932
Wt: 187.2
BDBM50405933
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Wt: 158.2
BDBM50405935
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Wt: 158.2
BDBM50405936
Wt: 186.2
BDBM50405937
Wt: 130.1
BDBM50405938
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Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 17 hits in this display   
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
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)


Article DOI: 10.1021/jm00379a001
BindingDB Entry DOI: 10.7270/Q2445KHW
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm00125a010
BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm00379a001
BindingDB Entry DOI: 10.7270/Q2445KHW
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)


Article DOI: 10.1021/jm00379a001
BindingDB Entry DOI: 10.7270/Q2445KHW
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)


Article DOI: 10.1021/jm00167a014
BindingDB Entry DOI: 10.7270/Q2RN38F8
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm00125a010
BindingDB Entry DOI: 10.7270/Q23777PG
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)


Article DOI: 10.1021/jm00125a010
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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Article
PubMed
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)


Article DOI: 10.1021/jm00125a010
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)


Article DOI: 10.1021/jm00125a010
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)


Article DOI: 10.1021/jm00125a010
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
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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)


Article DOI: 10.1021/jm00379a001
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)


Article DOI: 10.1021/jm00125a010
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)


Article DOI: 10.1021/jm00379a001
BindingDB Entry DOI: 10.7270/Q2445KHW
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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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)


Article DOI: 10.1021/jm00125a010
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)


Article DOI: 10.1021/jm00125a010
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)


Article DOI: 10.1021/jm00125a010
BindingDB Entry DOI: 10.7270/Q23777PG
More data for this
Ligand-Target Pair
Acetylpolyamine amidohydrolase (APAH)


(Mycoplana ramosa (Gram-negative bacterium))
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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n/an/a 1.60E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay


Bioorg Med Chem 21: 4530-40 (2013)


Article DOI: 10.1016/j.bmc.2013.05.045
BindingDB Entry DOI: 10.7270/Q2DN46FQ
More data for this
Ligand-Target Pair