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PubMed code 26189013

Compile data set for download or QSAR
Found 14 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] A


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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10n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM152637
PNG
((2E)-1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phe...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H13F3O2/c1-22-15-9-5-13(6-10-15)16(21)11-4-12-2-7-14(8-3-12)17(18,19)20/h2-11H,1H3/b11-4+
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220n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM152635
PNG
((2E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C16H13FO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+
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270n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM152633
PNG
((2E)-3-(2-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1F
Show InChI InChI=1S/C16H13FO2/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-11H,1H3/b11-8+
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280n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM152634
PNG
((2E)-3-(3-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cccc(F)c1
Show InChI InChI=1S/C16H13FO2/c1-19-15-8-6-13(7-9-15)16(18)10-5-12-3-2-4-14(17)11-12/h2-11H,1H3/b10-5+
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350n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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350n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM152636
PNG
((2E)-1-(4-methoxyphenyl)-3-[2-(trifluoromethyl)phe...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H13F3O2/c1-22-14-9-6-13(7-10-14)16(21)11-8-12-4-2-3-5-15(12)17(18,19)20/h2-11H,1H3/b11-8+
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360n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM152636
PNG
((2E)-1-(4-methoxyphenyl)-3-[2-(trifluoromethyl)phe...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H13F3O2/c1-22-14-9-6-13(7-10-14)16(21)11-8-12-4-2-3-5-15(12)17(18,19)20/h2-11H,1H3/b11-8+
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900n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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1.45E+3n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM152634
PNG
((2E)-3-(3-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cccc(F)c1
Show InChI InChI=1S/C16H13FO2/c1-19-15-8-6-13(7-9-15)16(18)10-5-12-3-2-4-14(17)11-12/h2-11H,1H3/b10-5+
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1.46E+3n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM152633
PNG
((2E)-3-(2-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1F
Show InChI InChI=1S/C16H13FO2/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-11H,1H3/b11-8+
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PubMed
2.34E+3n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM152635
PNG
((2E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C16H13FO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+
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2.39E+3n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM152637
PNG
((2E)-1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phe...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H13F3O2/c1-22-15-9-5-13(6-10-15)16(21)11-4-12-2-7-14(8-3-12)17(18,19)20/h2-11H,1H3/b11-4+
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4.32E+3n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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PubMed
8.15E+3n/an/an/an/an/an/a7.4n/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%