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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 1966   
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


(Bos taurus)
BDBM15604
PNG
((R)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...)
Show SMILES C[C@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
Show InChI InChI=1S/C14H22N2O/c1-11(12-7-4-3-5-8-12)16(2)14(17)13-9-6-10-15-13/h6,9-12,15H,3-5,7-8H2,1-2H3/t11-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15611
PNG
(N-Methyl,N-(propargyl),N-(pyrrol-2-ylmethyl)amine ...)
Show SMILES CN(CC#C)Cc1ccc[nH]1
Show InChI InChI=1S/C9H12N2/c1-3-7-11(2)8-9-5-4-6-10-9/h1,4-6,10H,7-8H2,2H3
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5.40n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15586
PNG
(N-(2-Phenylethyl),N-methyl-1H-pyrrole-2-carboxamid...)
Show SMILES CN(CCc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C14H16N2O/c1-16(14(17)13-8-5-10-15-13)11-9-12-6-3-2-4-7-12/h2-8,10,15H,9,11H2,1H3
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7 -48.6n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15600
PNG
((R,S)-N-methyl,N-(R-phenylethyl)-1H-pyrrole-2-carb...)
Show SMILES CC(N(C)C(=O)c1ccc[nH]1)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C14H16N2O/c1-11(12-7-4-3-5-8-12)16(2)14(17)13-9-6-10-15-13/h3-11,15H,1-2H3
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10n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15592
PNG
(CHEMBL374335 | N-Methyl,N-(benzyl),N-(pyrrol-2-ylm...)
Show SMILES CN(Cc1ccc[nH]1)Cc1ccccc1
Show InChI InChI=1S/C13H16N2/c1-15(11-13-8-5-9-14-13)10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3
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20n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15611
PNG
(N-Methyl,N-(propargyl),N-(pyrrol-2-ylmethyl)amine ...)
Show SMILES CN(CC#C)Cc1ccc[nH]1
Show InChI InChI=1S/C9H12N2/c1-3-7-11(2)8-9-5-4-6-10-9/h1,4-6,10H,7-8H2,2H3
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20n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15606
PNG
((R)-N-(alpha-Cyclohexylethyl)-N-methyl,N-(pyrrol-2...)
Show SMILES C[C@H](C1CCCCC1)N(C)Cc1ccc[nH]1 |r|
Show InChI InChI=1S/C14H24N2/c1-12(13-7-4-3-5-8-13)16(2)11-14-9-6-10-15-14/h6,9-10,12-13,15H,3-5,7-8,11H2,1-2H3/t12-/m1/s1
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20n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15605
PNG
((S)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...)
Show SMILES C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
Show InChI InChI=1S/C14H22N2O/c1-11(12-7-4-3-5-8-12)16(2)14(17)13-9-6-10-15-13/h6,9-12,15H,3-5,7-8H2,1-2H3/t11-/m0/s1
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20n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15595
PNG
((2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine | N-(2-...)
Show SMILES C(Cc1ccccc1)NCc1ccc[nH]1
Show InChI InChI=1S/C13H16N2/c1-2-5-12(6-3-1)8-10-14-11-13-7-4-9-15-13/h1-7,9,14-15H,8,10-11H2
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20 -45.9n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15593
PNG
(CHEMBL223300 | N-(2-Benzyl),N-(1-methylpyrrol-2-yl...)
Show SMILES Cn1cccc1CNCc1ccccc1
Show InChI InChI=1S/C13H16N2/c1-15-9-5-8-13(15)11-14-10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3
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24 -45.4n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15604
PNG
((R)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...)
Show SMILES C[C@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
Show InChI InChI=1S/C14H22N2O/c1-11(12-7-4-3-5-8-12)16(2)14(17)13-9-6-10-15-13/h6,9-12,15H,3-5,7-8H2,1-2H3/t11-/m1/s1
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30n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15588
PNG
(N-(3-Phenylpropyl),N-methyl-1H-pyrrole-2-carboxami...)
Show SMILES CN(CCCc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C15H18N2O/c1-17(15(18)14-10-5-11-16-14)12-6-9-13-7-3-2-4-8-13/h2-5,7-8,10-11,16H,6,9,12H2,1H3
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40 -44.1n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15596
PNG
(N-Methyl,N-(2-phenylethylyl),N-(pyrrol-2-ylmethyl)...)
Show SMILES CN(CCc1ccccc1)Cc1ccc[nH]1
Show InChI InChI=1S/C14H18N2/c1-16(12-14-8-5-10-15-14)11-9-13-6-3-2-4-7-13/h2-8,10,15H,9,11-12H2,1H3
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50 -43.5n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15597
PNG
(N-Methyl,N-(3-phenylpropyl),N-(pyrrol-2-ylmethyl)a...)
Show SMILES CN(CCCc1ccccc1)Cc1ccc[nH]1
Show InChI InChI=1S/C15H20N2/c1-17(13-15-10-5-11-16-15)12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3
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50 -43.5n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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PubMed
54 -43.3n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15589
PNG
(N-(4-Phenylbutyl)-1H-pyrrole-2-carboxamide | pyrro...)
Show SMILES O=C(NCCCCc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C15H18N2O/c18-15(14-10-6-12-16-14)17-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12,16H,4-5,9,11H2,(H,17,18)
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55 -43.2n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15608
PNG
(CHEMBL353159 | N-Methyl,N-propargyl-1H-pyrrole-2-c...)
Show SMILES CN(CC#C)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C9H10N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h1,4-6,10H,7H2,2H3
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75n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15590
PNG
(N-(4-Phenylbutyl),N-methyl 1H-pyrrole-2-carboxamid...)
Show SMILES CN(CCCCc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C16H20N2O/c1-18(16(19)15-11-7-12-17-15)13-6-5-10-14-8-3-2-4-9-14/h2-4,7-9,11-12,17H,5-6,10,13H2,1H3
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90 -42.0n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15598
PNG
(N-Methyl,N-(3-phenylbutyl),N-(pyrrol-2-ylmethyl)am...)
Show SMILES CN(CCCCc1ccccc1)Cc1ccc[nH]1
Show InChI InChI=1S/C16H22N2/c1-18(14-16-11-7-12-17-16)13-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11-12,17H,5-6,10,13-14H2,1H3
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100 -41.7n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15601
PNG
((R,S)-N-Methyl,N-(R-phenylethyl),N-(pyrrol-2-ylmet...)
Show SMILES CC(N(C)Cc1ccc[nH]1)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C14H18N2/c1-12(13-7-4-3-5-8-13)16(2)11-14-9-6-10-15-14/h3-10,12,15H,11H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15586
PNG
(N-(2-Phenylethyl),N-methyl-1H-pyrrole-2-carboxamid...)
Show SMILES CN(CCc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C14H16N2O/c1-16(14(17)13-8-5-10-15-13)11-9-12-6-3-2-4-7-12/h2-8,10,15H,9,11H2,1H3
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120n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15594
PNG
(N-Methyl,N-(benzy),N-(1-methylpyrrol-2-ylmethyl)am...)
Show SMILES CN(Cc1cccn1C)Cc1ccccc1
Show InChI InChI=1S/C14H18N2/c1-15(11-13-7-4-3-5-8-13)12-14-9-6-10-16(14)2/h3-10H,11-12H2,1-2H3
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PubMed
150 -40.6n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15607
PNG
(N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide | N-Pr...)
Show SMILES O=C(NCC#C)c1ccc[nH]1
Show InChI InChI=1S/C8H8N2O/c1-2-5-10-8(11)7-4-3-6-9-7/h1,3-4,6,9H,5H2,(H,10,11)
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230n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15583
PNG
(CHEMBL174040 | N-Benzyl-1H-pyrrole-2-carboxamide |...)
Show SMILES O=C(NCc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C12H12N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,14,15)
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250 -39.3n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15602
PNG
((R)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxa...)
Show SMILES C[C@@H](NC(=O)c1ccc[nH]1)C1CCCCC1 |r|
Show InChI InChI=1S/C13H20N2O/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12/h5,8-11,14H,2-4,6-7H2,1H3,(H,15,16)/t10-/m1/s1
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260n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15610
PNG
(N-(Propargyl),N-(pyrrol-2-ylmethyl)amine | prop-2-...)
Show SMILES C#CCNCc1ccc[nH]1
Show InChI InChI=1S/C8H10N2/c1-2-5-9-7-8-4-3-6-10-8/h1,3-4,6,9-10H,5,7H2
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300n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15603
PNG
((S)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxa...)
Show SMILES C[C@H](NC(=O)c1ccc[nH]1)C1CCCCC1 |r|
Show InChI InChI=1S/C13H20N2O/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12/h5,8-11,14H,2-4,6-7H2,1H3,(H,15,16)/t10-/m0/s1
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330n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15591
PNG
(N-(Benzyl),N-(pyrrol-2-ylmethyl)amine | benzyl(1H-...)
Show SMILES C(NCc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C12H14N2/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13-14H,9-10H2
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350 -38.5n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15582
PNG
(N-Phenyl-1H-pyrrole-2-carboxamide | pyrrole inhibi...)
Show SMILES O=C(Nc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C11H10N2O/c14-11(10-7-4-8-12-10)13-9-5-2-1-3-6-9/h1-8,12H,(H,13,14)
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400 -38.1n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15585
PNG
(N-(2-phenylethyl)-1H-pyrrole-2-carboxamide | N-2-P...)
Show SMILES O=C(NCCc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C13H14N2O/c16-13(12-7-4-9-14-12)15-10-8-11-5-2-1-3-6-11/h1-7,9,14H,8,10H2,(H,15,16)
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420 -38.0n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15612
PNG
(N-Methyl,N-(propargyl),N-(1-methylpyrrol-2-ylmethy...)
Show SMILES CN(CC#C)Cc1cccn1C
Show InChI InChI=1S/C10H14N2/c1-4-7-11(2)9-10-6-5-8-12(10)3/h1,5-6,8H,7,9H2,2-3H3
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440n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15584
PNG
(CHEMBL352538 | N-Benzyl,N-methyl-1H-pyrrole-2-carb...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C13H14N2O/c1-15(10-11-6-3-2-4-7-11)13(16)12-8-5-9-14-12/h2-9,14H,10H2,1H3
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600 -37.1n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15610
PNG
(N-(Propargyl),N-(pyrrol-2-ylmethyl)amine | prop-2-...)
Show SMILES C#CCNCc1ccc[nH]1
Show InChI InChI=1S/C8H10N2/c1-2-5-9-7-8-4-3-6-10-8/h1,3-4,6,9-10H,5,7H2
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620n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15587
PNG
(N-(3-Phenylpropyl)-1H-pyrrole-2-carboxamide | pyrr...)
Show SMILES O=C(NCCCc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C14H16N2O/c17-14(13-9-5-10-15-13)16-11-4-8-12-6-2-1-3-7-12/h1-3,5-7,9-10,15H,4,8,11H2,(H,16,17)
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700 -36.7n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15595
PNG
((2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine | N-(2-...)
Show SMILES C(Cc1ccccc1)NCc1ccc[nH]1
Show InChI InChI=1S/C13H16N2/c1-2-5-12(6-3-1)8-10-14-11-13-7-4-9-15-13/h1-7,9,14-15H,8,10-11H2
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700n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15609
PNG
(N,1-dimethyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carbo...)
Show SMILES CN(CC#C)C(=O)c1cccn1C
Show InChI InChI=1S/C10H12N2O/c1-4-7-12(3)10(13)9-6-5-8-11(9)2/h1,5-6,8H,7H2,2-3H3
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830n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
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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970n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15599
PNG
((R,S)-N-(R-Phenylethyl)-1H-pyrrole-2-carboxamide |...)
Show SMILES CC(NC(=O)c1ccc[nH]1)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C13H14N2O/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12/h2-10,14H,1H3,(H,15,16)
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PubMed
1.22E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15601
PNG
((R,S)-N-Methyl,N-(R-phenylethyl),N-(pyrrol-2-ylmet...)
Show SMILES CC(N(C)Cc1ccc[nH]1)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C14H18N2/c1-12(13-7-4-3-5-8-13)16(2)11-14-9-6-10-15-14/h3-10,12,15H,11H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15597
PNG
(N-Methyl,N-(3-phenylpropyl),N-(pyrrol-2-ylmethyl)a...)
Show SMILES CN(CCCc1ccccc1)Cc1ccc[nH]1
Show InChI InChI=1S/C15H20N2/c1-17(13-15-10-5-11-16-15)12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15590
PNG
(N-(4-Phenylbutyl),N-methyl 1H-pyrrole-2-carboxamid...)
Show SMILES CN(CCCCc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C16H20N2O/c1-18(16(19)15-11-7-12-17-15)13-6-5-10-14-8-3-2-4-9-14/h2-4,7-9,11-12,17H,5-6,10,13H2,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15598
PNG
(N-Methyl,N-(3-phenylbutyl),N-(pyrrol-2-ylmethyl)am...)
Show SMILES CN(CCCCc1ccccc1)Cc1ccc[nH]1
Show InChI InChI=1S/C16H22N2/c1-18(14-16-11-7-12-17-16)13-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11-12,17H,5-6,10,13-14H2,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15603
PNG
((S)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxa...)
Show SMILES C[C@H](NC(=O)c1ccc[nH]1)C1CCCCC1 |r|
Show InChI InChI=1S/C13H20N2O/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12/h5,8-11,14H,2-4,6-7H2,1H3,(H,15,16)/t10-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15592
PNG
(CHEMBL374335 | N-Methyl,N-(benzyl),N-(pyrrol-2-ylm...)
Show SMILES CN(Cc1ccc[nH]1)Cc1ccccc1
Show InChI InChI=1S/C13H16N2/c1-15(11-13-8-5-9-14-13)10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3
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3.50E+3 -32.5n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15602
PNG
((R)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxa...)
Show SMILES C[C@@H](NC(=O)c1ccc[nH]1)C1CCCCC1 |r|
Show InChI InChI=1S/C13H20N2O/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12/h5,8-11,14H,2-4,6-7H2,1H3,(H,15,16)/t10-/m1/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
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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3.80E+3 -32.3n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15605
PNG
((S)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...)
Show SMILES C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
Show InChI InChI=1S/C14H22N2O/c1-11(12-7-4-3-5-8-12)16(2)14(17)13-9-6-10-15-13/h6,9-12,15H,3-5,7-8H2,1-2H3/t11-/m0/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15600
PNG
((R,S)-N-methyl,N-(R-phenylethyl)-1H-pyrrole-2-carb...)
Show SMILES CC(N(C)C(=O)c1ccc[nH]1)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C14H16N2O/c1-11(12-7-4-3-5-8-12)16(2)14(17)13-9-6-10-15-13/h3-11,15H,1-2H3
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4.50E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15596
PNG
(N-Methyl,N-(2-phenylethylyl),N-(pyrrol-2-ylmethyl)...)
Show SMILES CN(CCc1ccccc1)Cc1ccc[nH]1
Show InChI InChI=1S/C14H18N2/c1-16(12-14-8-5-10-15-14)11-9-13-6-3-2-4-7-13/h2-8,10,15H,9,11-12H2,1H3
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4.80E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15606
PNG
((R)-N-(alpha-Cyclohexylethyl)-N-methyl,N-(pyrrol-2...)
Show SMILES C[C@H](C1CCCCC1)N(C)Cc1ccc[nH]1 |r|
Show InChI InChI=1S/C14H24N2/c1-12(13-7-4-3-5-8-13)16(2)11-14-9-6-10-15-14/h6,9-10,12-13,15H,3-5,7-8,11H2,1-2H3/t12-/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
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