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PubMed code 25346162

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM153275
PNG
((E)-3-(4-Bromo-2,5-dimethoxyphenyl)-1-(2-hydroxy-5...)
Show SMILES COc1ccc(O)c(c1)C(=O)\C=C\c1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C18H17BrO5/c1-22-12-5-7-16(21)13(9-12)15(20)6-4-11-8-18(24-3)14(19)10-17(11)23-2/h4-10,21H,1-3H3/b6-4+
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UniChem

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Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM153273
PNG
((E)-3-(4-Bromo-2,5-dimethoxyphenyl)-1-(2-hydroxy-6...)
Show SMILES COc1cc(\C=C\C(=O)c2c(O)cccc2OC)c(OC)cc1Br
Show InChI InChI=1S/C18H17BrO5/c1-22-15-6-4-5-13(20)18(15)14(21)8-7-11-9-17(24-3)12(19)10-16(11)23-2/h4-10,20H,1-3H3/b8-7+
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UniChem

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Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM153274
PNG
((E)-3-(2,3-Dimethoxyphenyl)-1-(2-hydroxy-5-methoxy...)
Show SMILES COc1ccc(O)c(c1)C(=O)\C=C\c1cccc(OC)c1OC
Show InChI InChI=1S/C18H18O5/c1-21-13-8-10-16(20)14(11-13)15(19)9-7-12-5-4-6-17(22-2)18(12)23-3/h4-11,20H,1-3H3/b9-7+
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Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM153272
PNG
((E)-3-(2,5-Dimethoxyphenyl)-1-(2-hydroxy-6-methoxy...)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2c(O)cccc2OC)c1
Show InChI InChI=1S/C18H18O5/c1-21-13-8-10-16(22-2)12(11-13)7-9-15(20)18-14(19)5-4-6-17(18)23-3/h4-11,19H,1-3H3/b9-7+
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Article
PubMed
n/an/a 1.09E+4n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM153278
PNG
((Z)-2-(2,3-Dimethoxybenzylidene)-5-methoxybenzofur...)
Show SMILES COc1ccc2O\C(=C/c3cccc(OC)c3OC)C(=O)c2c1
Show InChI InChI=1S/C18H16O5/c1-20-12-7-8-14-13(10-12)17(19)16(23-14)9-11-5-4-6-15(21-2)18(11)22-3/h4-10H,1-3H3/b16-9-
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UniChem

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Article
PubMed
n/an/a 1.16E+4n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM153279
PNG
((Z)-2-(4-Bromo-2,5-dimethoxybenzylidene)-5-methoxy...)
Show SMILES COc1ccc2O\C(=C/c3cc(OC)c(Br)cc3OC)C(=O)c2c1
Show InChI InChI=1S/C18H15BrO5/c1-21-11-4-5-14-12(8-11)18(20)17(24-14)7-10-6-16(23-3)13(19)9-15(10)22-2/h4-9H,1-3H3/b17-7-
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UniChem

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Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM153276
PNG
((Z)-2-(2,5-Dimethoxybenzylidene)-4-methoxybenzofur...)
Show SMILES COc1ccc(OC)c(\C=C2/Oc3cccc(OC)c3C2=O)c1
Show InChI InChI=1S/C18H16O5/c1-20-12-7-8-13(21-2)11(9-12)10-16-18(19)17-14(22-3)5-4-6-15(17)23-16/h4-10H,1-3H3/b16-10-
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UniChem

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Article
PubMed
n/an/a 1.78E+4n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM153277
PNG
((Z)-2-(4-Bromo-2,5-dimethoxybenzylidene)-4-methoxy...)
Show SMILES COc1cccc2O\C(=C/c3cc(OC)c(Br)cc3OC)C(=O)c12
Show InChI InChI=1S/C18H15BrO5/c1-21-12-5-4-6-13-17(12)18(20)16(24-13)8-10-7-15(23-3)11(19)9-14(10)22-2/h4-9H,1-3H3/b16-8-
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UniChem

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Article
PubMed
n/an/a 2.63E+4n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM153277
PNG
((Z)-2-(4-Bromo-2,5-dimethoxybenzylidene)-4-methoxy...)
Show SMILES COc1cccc2O\C(=C/c3cc(OC)c(Br)cc3OC)C(=O)c12
Show InChI InChI=1S/C18H15BrO5/c1-21-12-5-4-6-13-17(12)18(20)16(24-13)8-10-7-15(23-3)11(19)9-14(10)22-2/h4-9H,1-3H3/b16-8-
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM153278
PNG
((Z)-2-(2,3-Dimethoxybenzylidene)-5-methoxybenzofur...)
Show SMILES COc1ccc2O\C(=C/c3cccc(OC)c3OC)C(=O)c2c1
Show InChI InChI=1S/C18H16O5/c1-20-12-7-8-14-13(10-12)17(19)16(23-14)9-11-5-4-6-15(21-2)18(11)22-3/h4-10H,1-3H3/b16-9-
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM153274
PNG
((E)-3-(2,3-Dimethoxyphenyl)-1-(2-hydroxy-5-methoxy...)
Show SMILES COc1ccc(O)c(c1)C(=O)\C=C\c1cccc(OC)c1OC
Show InChI InChI=1S/C18H18O5/c1-21-13-8-10-16(20)14(11-13)15(19)9-7-12-5-4-6-17(22-2)18(12)23-3/h4-11,20H,1-3H3/b9-7+
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UniChem

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM153273
PNG
((E)-3-(4-Bromo-2,5-dimethoxyphenyl)-1-(2-hydroxy-6...)
Show SMILES COc1cc(\C=C\C(=O)c2c(O)cccc2OC)c(OC)cc1Br
Show InChI InChI=1S/C18H17BrO5/c1-22-15-6-4-5-13(20)18(15)14(21)8-7-11-9-17(24-3)12(19)10-16(11)23-2/h4-10,20H,1-3H3/b8-7+
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM153279
PNG
((Z)-2-(4-Bromo-2,5-dimethoxybenzylidene)-5-methoxy...)
Show SMILES COc1ccc2O\C(=C/c3cc(OC)c(Br)cc3OC)C(=O)c2c1
Show InChI InChI=1S/C18H15BrO5/c1-21-11-4-5-14-12(8-11)18(20)17(24-14)7-10-6-16(23-3)13(19)9-15(10)22-2/h4-9H,1-3H3/b17-7-
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM153275
PNG
((E)-3-(4-Bromo-2,5-dimethoxyphenyl)-1-(2-hydroxy-5...)
Show SMILES COc1ccc(O)c(c1)C(=O)\C=C\c1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C18H17BrO5/c1-22-12-5-7-16(21)13(9-12)15(20)6-4-11-8-18(24-3)14(19)10-17(11)23-2/h4-10,21H,1-3H3/b6-4+
PDB
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM153276
PNG
((Z)-2-(2,5-Dimethoxybenzylidene)-4-methoxybenzofur...)
Show SMILES COc1ccc(OC)c(\C=C2/Oc3cccc(OC)c3C2=O)c1
Show InChI InChI=1S/C18H16O5/c1-20-12-7-8-13(21-2)11(9-12)10-16-18(19)17-14(22-3)5-4-6-15(17)23-16/h4-10H,1-3H3/b16-10-
PDB
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM153272
PNG
((E)-3-(2,5-Dimethoxyphenyl)-1-(2-hydroxy-6-methoxy...)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2c(O)cccc2OC)c1
Show InChI InChI=1S/C18H18O5/c1-21-13-8-10-16(22-2)12(11-13)7-9-15(20)18-14(19)5-4-6-17(18)23-3/h4-11,19H,1-3H3/b9-7+
PDB
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pontificia Universidad Católica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague¿Dawley rats weighing 180¿220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%