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PubMed code 26536532

Compile data set for download or QSAR
Found 19 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


(Homo sapiens (Human))		BDBM50116067
PNG
((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Reversible inhibition of human MAO-B

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50491954
PNG
(CHEBI:82717 | Sivextro | TR-700 | Tedizolid | Tore...)
Show SMILES Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](CO)OC1=O |r|
Show InChI InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Reversible inhibition of human MAO-B

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50491954
PNG
(CHEBI:82717 | Sivextro | TR-700 | Tedizolid | Tore...)
Show SMILES Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](CO)OC1=O |r|
Show InChI InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Reversible inhibition of human MAO-A

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50116067
PNG
((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Reversible inhibition of human MAO-A

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50499758
PNG
(CHEMBL3739683)
Show SMILES OC(=O)C(F)(F)F.CC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@H](CNO)OC1=O |r|
Show InChI InChI=1S/C16H21FN4O4.C2HF3O2/c1-11(22)19-4-6-20(7-5-19)15-3-2-12(8-14(15)17)21-10-13(9-18-24)25-16(21)23;3-2(4,5)1(6)7/h2-3,8,13,18,24H,4-7,9-10H2,1H3;(H,6,7)/t13-;/m0./s1
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n/an/a 4.66E+4n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499758
PNG
(CHEMBL3739683)
Show SMILES OC(=O)C(F)(F)F.CC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@H](CNO)OC1=O |r|
Show InChI InChI=1S/C16H21FN4O4.C2HF3O2/c1-11(22)19-4-6-20(7-5-19)15-3-2-12(8-14(15)17)21-10-13(9-18-24)25-16(21)23;3-2(4,5)1(6)7/h2-3,8,13,18,24H,4-7,9-10H2,1H3;(H,6,7)/t13-;/m0./s1
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n/an/a 6.96E+4n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499760
PNG
(CHEMBL3739891)
Show SMILES CCC(=O)N(O)C[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(C)=O)c(F)c1 |r|
Show InChI InChI=1S/C19H25FN4O5/c1-3-18(26)24(28)12-15-11-23(19(27)29-15)14-4-5-17(16(20)10-14)22-8-6-21(7-9-22)13(2)25/h4-5,10,15,28H,3,6-9,11-12H2,1-2H3/t15-/m1/s1
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n/an/a 8.31E+4n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499757
PNG
(CHEMBL3741428)
Show SMILES ON(C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1)C(=O)C1CC1 |r|
Show InChI InChI=1S/C18H22FN3O5/c19-15-9-13(3-4-16(15)20-5-7-26-8-6-20)21-10-14(27-18(21)24)11-22(25)17(23)12-1-2-12/h3-4,9,12,14,25H,1-2,5-8,10-11H2/t14-/m1/s1
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n/an/a 9.09E+4n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499763
PNG
(CHEMBL3741033)
Show SMILES CCC(=O)N(O)C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
Show InChI InChI=1S/C17H22FN3O5/c1-2-16(22)21(24)11-13-10-20(17(23)26-13)12-3-4-15(14(18)9-12)19-5-7-25-8-6-19/h3-4,9,13,24H,2,5-8,10-11H2,1H3/t13-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499761
PNG
(CHEMBL3739655)
Show SMILES CC(C)C(=O)N(O)C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
Show InChI InChI=1S/C18H24FN3O5/c1-12(2)17(23)22(25)11-14-10-21(18(24)27-14)13-3-4-16(15(19)9-13)20-5-7-26-8-6-20/h3-4,9,12,14,25H,5-8,10-11H2,1-2H3/t14-/m1/s1
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n/an/a 1.07E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499766
PNG
(CHEMBL3740096)
Show SMILES CC(C)OC(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1)C(=O)C(C)C |r|
Show InChI InChI=1S/C22H30FN3O6/c1-14(2)20(27)26(22(29)31-15(3)4)13-17-12-25(21(28)32-17)16-5-6-19(18(23)11-16)24-7-9-30-10-8-24/h5-6,11,14-15,17H,7-10,12-13H2,1-4H3/t17-/m1/s1
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n/an/a 1.08E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499764
PNG
(CHEMBL3741844)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@H](CN(C(=O)OC2CC2)C(=O)C2CC2)OC1=O |r|
Show InChI InChI=1S/C24H29FN4O6/c1-15(30)26-8-10-27(11-9-26)21-7-4-17(12-20(21)25)28-13-19(35-23(28)32)14-29(22(31)16-2-3-16)24(33)34-18-5-6-18/h4,7,12,16,18-19H,2-3,5-6,8-11,13-14H2,1H3/t19-/m1/s1
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n/an/a 1.11E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50499757
PNG
(CHEMBL3741428)
Show SMILES ON(C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1)C(=O)C1CC1 |r|
Show InChI InChI=1S/C18H22FN3O5/c19-15-9-13(3-4-16(15)20-5-7-26-8-6-20)21-10-14(27-18(21)24)11-22(25)17(23)12-1-2-12/h3-4,9,12,14,25H,1-2,5-8,10-11H2/t14-/m1/s1
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n/an/a 1.12E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499762
PNG
(CHEMBL3742038)
Show SMILES ONC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
Show InChI InChI=1S/C14H18FN3O4/c15-12-7-10(18-9-11(8-16-20)22-14(18)19)1-2-13(12)17-3-5-21-6-4-17/h1-2,7,11,16,20H,3-6,8-9H2/t11-/m0/s1
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n/an/a 1.12E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50499763
PNG
(CHEMBL3741033)
Show SMILES CCC(=O)N(O)C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
Show InChI InChI=1S/C17H22FN3O5/c1-2-16(22)21(24)11-13-10-20(17(23)26-13)12-3-4-15(14(18)9-12)19-5-7-25-8-6-19/h3-4,9,13,24H,2,5-8,10-11H2,1H3/t13-/m1/s1
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n/an/a 1.15E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499759
PNG
(CHEMBL3741609)
Show SMILES CCOC(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(C)=O)c(F)c1)C(=O)CC |r|
Show InChI InChI=1S/C22H29FN4O6/c1-4-20(29)27(21(30)32-5-2)14-17-13-26(22(31)33-17)16-6-7-19(18(23)12-16)25-10-8-24(9-11-25)15(3)28/h6-7,12,17H,4-5,8-11,13-14H2,1-3H3/t17-/m1/s1
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n/an/a 1.27E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50499762
PNG
(CHEMBL3742038)
Show SMILES ONC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
Show InChI InChI=1S/C14H18FN3O4/c15-12-7-10(18-9-11(8-16-20)22-14(18)19)1-2-13(12)17-3-5-21-6-4-17/h1-2,7,11,16,20H,3-6,8-9H2/t11-/m0/s1
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n/an/a 1.44E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499765
PNG
(CHEMBL3741610)
Show SMILES COC(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(C)=O)c(F)c1)C(C)=O |r|
Show InChI InChI=1S/C20H25FN4O6/c1-13(26)22-6-8-23(9-7-22)18-5-4-15(10-17(18)21)25-12-16(31-20(25)29)11-24(14(2)27)19(28)30-3/h4-5,10,16H,6-9,11-12H2,1-3H3/t16-/m0/s1
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n/an/a 1.53E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50499756
PNG
(CHEMBL3742204)
Show SMILES CCOC(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1)C(=O)CC |r|
Show InChI InChI=1S/C20H26FN3O6/c1-3-18(25)24(19(26)29-4-2)13-15-12-23(20(27)30-15)14-5-6-17(16(21)11-14)22-7-9-28-10-8-22/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3/t15-/m1/s1
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n/an/a 1.68E+5n/an/an/an/an/an/a



Kuwait University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis

Eur J Med Chem 106: 120-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.025
BindingDB Entry DOI: 10.7270/Q2SQ93D1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%