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Compile Data Set for Download or QSAR

Found 41 hits of Enz. Inhib. data with enzyme = 'Amine oxidase [flavin-containing] A' and Substrate = 'BDBM10990'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM10799
PNG
((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Show SMILES Oc1ccc2CC[C@@H](NCC#C)c2c1
Show InChI InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1
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PubMed
1.90E+3 -7.80n/an/an/an/an/a7.525



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 47: 1760-6 (2004)


Article DOI: 10.1021/jm0310885
BindingDB Entry DOI: 10.7270/Q2P8494M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10994
PNG
((1R)-1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Show SMILES Oc1cccc2[C@@H](CCc12)NCC#C
Show InChI InChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h1,3-5,11,13-14H,6-8H2/t11-/m1/s1
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PubMed
2.00E+3 -7.77n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM11002
PNG
((1R)-N-methyl-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-in...)
Show SMILES CN(CC#C)[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1
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PubMed
4.90E+3 -7.24n/an/an/an/an/a7.525



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 47: 1760-6 (2004)


Article DOI: 10.1021/jm0310885
BindingDB Entry DOI: 10.7270/Q2P8494M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10992
PNG
( rasagiline analog | (1R)-1-[methyl(prop-2-yn-1-yl...)
Show SMILES CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)N(C)CC#C
Show InChI InChI=1S/C17H22N2O2/c1-5-12-19(4)15-11-10-14-13(15)8-7-9-16(14)21-17(20)18(3)6-2/h1,7-9,15H,6,10-12H2,2-4H3/t15-/m1/s1
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PubMed
6.00E+3 -7.12n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10993
PNG
( rasagiline analog | (1R)-1-(prop-2-yn-1-ylamino)-...)
Show SMILES CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)NCC#C
Show InChI InChI=1S/C16H20N2O2/c1-4-11-17-14-10-9-13-12(14)7-6-8-15(13)20-16(19)18(3)5-2/h1,6-8,14,17H,5,9-11H2,2-3H3/t14-/m1/s1
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PubMed
7.00E+3 -7.03n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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9.70E+3 -6.83n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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9.70E+3 -6.83n/an/an/an/an/a7.525



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 47: 1760-6 (2004)


Article DOI: 10.1021/jm0310885
BindingDB Entry DOI: 10.7270/Q2P8494M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM19189
PNG
(7-(3-Chlorobenzyloxy)-4-carboxaldehyde-coumarin, 3...)
Show SMILES Clc1cccc(COc2ccc3c(C=O)cc(=O)oc3c2)c1
Show InChI InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2
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1.10E+4 -6.76n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A activities were determined spectrophotometrically at 316 nm using kynuramine as substrate. Competitive Ki values were determined by measuring i...


J Med Chem 50: 5848-5852 (2007)


Article DOI: 10.1021/jm070677y
BindingDB Entry DOI: 10.7270/Q2DN43B4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM11022
PNG
(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Show SMILES O=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
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1.50E+4 -6.58n/an/an/an/an/a7.525



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...


J Biol Chem 280: 15761-6 (2005)


Article DOI: 10.1074/jbc.M500949200
BindingDB Entry DOI: 10.7270/Q2DR2SP5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM19188
PNG
(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)
Show SMILES CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Show InChI InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3
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PubMed
1.57E+4 -6.55n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A activities were determined spectrophotometrically at 316 nm using kynuramine as substrate. Competitive Ki values were determined by measuring i...


J Med Chem 50: 5848-5852 (2007)


Article DOI: 10.1021/jm070677y
BindingDB Entry DOI: 10.7270/Q2DN43B4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10996
PNG
((1S)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@H]1CCc2ccccc12
Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m0/s1
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PubMed
5.00E+4 -5.86n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1
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5.60E+4 -5.80n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10997
PNG
((1R)-2,3-dihydro-1H-inden-1-amine | 1(R)-aminoinda...)
Show SMILES N[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m1/s1
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6.70E+4 -5.69n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM11000
PNG
((1S)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@H]1CCc2ccccc12
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1
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PubMed
1.12E+5 -5.39n/an/an/an/an/a7.525



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 47: 1760-6 (2004)


Article DOI: 10.1021/jm0310885
BindingDB Entry DOI: 10.7270/Q2P8494M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10998
PNG
((1S)-2,3-dihydro-1H-inden-1-amine | 1(S)-aminoinda...)
Show SMILES N[C@H]1CCc2ccccc12
Show InChI InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m0/s1
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1.60E+5 -5.17n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10750
PNG
((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1
Show InChI InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1
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2.27E+5 -4.97n/an/an/an/an/a7.525



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 47: 1760-6 (2004)


Article DOI: 10.1021/jm0310885
BindingDB Entry DOI: 10.7270/Q2P8494M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10774
PNG
((3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1...)
Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1
Show InChI InChI=1S/C17H22N2O2/c1-5-11-19(4)16-10-8-13-7-9-14(12-15(13)16)21-17(20)18(3)6-2/h1,7,9,12,16H,6,8,10-11H2,2-4H3/t16-/m1/s1
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2.95E+5 -4.81n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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3.65E+5 -4.69n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A activities were determined spectrophotometrically at 316 nm using kynuramine as substrate. Competitive Ki values were determined by measuring i...


J Med Chem 50: 5848-5852 (2007)


Article DOI: 10.1021/jm070677y
BindingDB Entry DOI: 10.7270/Q2DN43B4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM11020
PNG
(1,4-diphenyl-2-butene (DPB) | [(2E)-4-phenylbut-2-...)
Show SMILES C(\C=C\Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-12H,13-14H2/b8-7+
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>1.00E+6>-4.09n/an/an/an/an/a7.525



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...


J Biol Chem 280: 15761-6 (2005)


Article DOI: 10.1074/jbc.M500949200
BindingDB Entry DOI: 10.7270/Q2DR2SP5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM11021
PNG
((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CO
Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
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>1.00E+6>-4.09n/an/an/an/an/a7.525



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...


J Biol Chem 280: 15761-6 (2005)


Article DOI: 10.1074/jbc.M500949200
BindingDB Entry DOI: 10.7270/Q2DR2SP5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM11018
PNG
(2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...)
Show SMILES CC1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2C(=O)N(C)C1=O
Show InChI InChI=1S/C17H16ClN3O2/c1-10-14-15(17(23)21(3)16(10)22)20(2)13(19-14)8-7-11-5-4-6-12(18)9-11/h4-10H,1-3H3/b8-7+
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>1.00E+6>-4.09n/an/an/an/an/a7.525



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...


J Biol Chem 280: 15761-6 (2005)


Article DOI: 10.1074/jbc.M500949200
BindingDB Entry DOI: 10.7270/Q2DR2SP5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86776
PNG
(Phthalonitrile analogue, 4e)
Show SMILES N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N
Show InChI InChI=1S/C17H12N2O/c18-12-15-8-9-17(11-16(15)13-19)20-10-4-7-14-5-2-1-3-6-14/h1-9,11H,10H2/b7-4+
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n/an/a 399n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86779
PNG
(Phthalonitrile analogue, 4h)
Show SMILES Brc1ccc(COc2ccc(C#N)c(c2)C#N)cc1
Show InChI InChI=1S/C15H9BrN2O/c16-14-4-1-11(2-5-14)10-19-15-6-3-12(8-17)13(7-15)9-18/h1-7H,10H2
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n/an/a 642n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86775
PNG
(Phthalonitrile analogue, 4d)
Show SMILES N#Cc1ccc(OCCCc2ccccc2)cc1C#N
Show InChI InChI=1S/C17H14N2O/c18-12-15-8-9-17(11-16(15)13-19)20-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10H2
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n/an/a 652n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86774
PNG
(Phthalonitrile analogue, 4c)
Show SMILES N#Cc1ccc(OCCc2ccccc2)cc1C#N
Show InChI InChI=1S/C16H12N2O/c17-11-14-6-7-16(10-15(14)12-18)19-9-8-13-4-2-1-3-5-13/h1-7,10H,8-9H2
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n/an/a 1.31E+3n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86773
PNG
(Phthalonitrile analogue, 4b)
Show SMILES N#Cc1ccc(OCc2ccccc2)cc1C#N
Show InChI InChI=1S/C15H10N2O/c16-9-13-6-7-15(8-14(13)10-17)18-11-12-4-2-1-3-5-12/h1-8H,11H2
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n/an/a 1.79E+3n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86785
PNG
(Benzonitrile analogue, 5e)
Show SMILES Brc1ccc(Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C13H8BrNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
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n/an/a 2.44E+3n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86780
PNG
(Phthalonitrile analogue, 4i)
Show SMILES Brc1ccc(CCOc2ccc(C#N)c(c2)C#N)cc1
Show InChI InChI=1S/C16H11BrN2O/c17-15-4-1-12(2-5-15)7-8-20-16-6-3-13(10-18)14(9-16)11-19/h1-6,9H,7-8H2
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n/an/a 2.45E+3n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86786
PNG
(Benzonitrile analogue, 5f)
Show SMILES Brc1ccc(COc2cccc(c2)C#N)cc1
Show InChI InChI=1S/C14H10BrNO/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8H,10H2
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n/an/a 2.61E+3n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86784
PNG
(Benzonitrile analogue, 5d)
Show SMILES N#Cc1cccc(OC\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H13NO/c17-13-15-8-4-10-16(12-15)18-11-5-9-14-6-2-1-3-7-14/h1-10,12H,11H2/b9-5+
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n/an/a 3.60E+3n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86777
PNG
(Phthalonitrile analogue, 4f)
Show SMILES N#Cc1ccc(Oc2ccc3ccccc3c2)cc1C#N
Show InChI InChI=1S/C18H10N2O/c19-11-15-6-8-18(10-16(15)12-20)21-17-7-5-13-3-1-2-4-14(13)9-17/h1-10H
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n/an/a 5.05E+3n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86787
PNG
(Benzonitrile analogue, 5g)
Show SMILES Brc1ccc(CCOc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C15H12BrNO/c16-14-5-1-12(2-6-14)9-10-18-15-7-3-13(11-17)4-8-15/h1-8H,9-10H2
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n/an/a 1.19E+4n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86782
PNG
(Benzonitrile analogue, 5b)
Show SMILES N#Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C14H11NO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,11H2
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n/an/a 1.30E+4n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86783
PNG
(Benzonitrile analogue, 5c)
Show SMILES N#Cc1ccc(OC\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C16H13NO/c17-13-15-8-10-16(11-9-15)18-12-4-7-14-5-2-1-3-6-14/h1-11H,12H2/b7-4+
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n/an/a 1.59E+4n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86778
PNG
(Phthalonitrile analogue, 4g)
Show SMILES Brc1ccc(Oc2ccc(C#N)c(c2)C#N)cc1
Show InChI InChI=1S/C14H7BrN2O/c15-12-2-5-13(6-3-12)18-14-4-1-10(8-16)11(7-14)9-17/h1-7H
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n/an/a 1.92E+4n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86772
PNG
(Phthalonitrile analogue, 4a)
Show SMILES N#Cc1ccc(Oc2ccccc2)cc1C#N
Show InChI InChI=1S/C14H8N2O/c15-9-11-6-7-14(8-12(11)10-16)17-13-4-2-1-3-5-13/h1-8H
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n/an/a 2.52E+4n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86781
PNG
(Benzonitrile analogue, 5a)
Show SMILES N#Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C14H11NO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,11H2
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n/an/a 3.22E+4n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86791
PNG
(Benzyl phenyl ether analogue, 6c)
Show SMILES Brc1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
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n/an/a 6.55E+4n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86788
PNG
(Benzonitrile analogue, 5h)
Show SMILES N#Cc1ccc(OCCOc2ccccc2)cc1
Show InChI InChI=1S/C15H13NO2/c16-12-13-6-8-15(9-7-13)18-11-10-17-14-4-2-1-3-5-14/h1-9H,10-11H2
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n/an/a 6.95E+4n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86792
PNG
(Benzyl phenyl ether analogue, 6d)
Show SMILES Brc1ccc(CCOc2ccccc2)cc1
Show InChI InChI=1S/C14H13BrO/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-9H,10-11H2
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n/an/a 1.02E+5n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM86790
PNG
(Benzyl phenyl ether analogue, 6b)
Show SMILES C(Oc1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C15H14O/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-12H,13H2/b10-7+
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n/an/a 1.45E+5n/an/an/an/a7.4-70



North-West University



Assay Description
MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...


Bioorg Chem 40: 114-24 (2012)


Article DOI: 10.1016/j.bioorg.2011.10.003
BindingDB Entry DOI: 10.7270/Q2W66JB4
More data for this
Ligand-Target Pair