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Compile Data Set for Download or QSAR

Found 22 hits of ki for UniProtKB: Q8BW75   
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] B


(Mus musculus)
BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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100n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAOB


Bioorg Med Chem 17: 7523-30 (2009)


Article DOI: 10.1016/j.bmc.2009.09.019
BindingDB Entry DOI: 10.7270/Q2BK1CDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
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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200 -9.13n/an/an/an/an/a7.425



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] B


(Mus musculus)
BDBM50364455
PNG
(CHEMBL1950682)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C21H19N5O3/c1-24-16-18(25(2)21(29)26(3)20(16)28)23-17(24)13-9-11-15(12-10-13)22-19(27)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,22,27)
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260n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364455
PNG
(CHEMBL1950682)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C21H19N5O3/c1-24-16-18(25(2)21(29)26(3)20(16)28)23-17(24)13-9-11-15(12-10-13)22-19(27)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,22,27)
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260n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364457
PNG
(CHEMBL1950684)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C22H21N5O4/c1-25-17-19(26(2)22(30)27(3)21(17)29)24-18(25)13-5-9-15(10-6-13)23-20(28)14-7-11-16(31-4)12-8-14/h5-12H,1-4H3,(H,23,28)
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1.18E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50305644
PNG
((2E,4E)-5-Benzo[1,3]dioxol-5-yl-penta-2,4-dienoic ...)
Show SMILES COC(=O)\C=C\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C13H12O4/c1-15-13(14)5-3-2-4-10-6-7-11-12(8-10)17-9-16-11/h2-8H,9H2,1H3/b4-2+,5-3+
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1.30E+3n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain mitochondrial MAO-B using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
BindingDB Entry DOI: 10.7270/Q2M90D5H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50305644
PNG
((2E,4E)-5-Benzo[1,3]dioxol-5-yl-penta-2,4-dienoic ...)
Show SMILES COC(=O)\C=C\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C13H12O4/c1-15-13(14)5-3-2-4-10-6-7-11-12(8-10)17-9-16-11/h2-8H,9H2,1H3/b4-2+,5-3+
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1.60E+3n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAOB


Bioorg Med Chem Lett 20: 537-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.106
BindingDB Entry DOI: 10.7270/Q2000264
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364456
PNG
(CHEMBL1950683)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C22H21N5O3/c1-13-5-7-15(8-6-13)20(28)23-16-11-9-14(10-12-16)18-24-19-17(25(18)2)21(29)27(4)22(30)26(19)3/h5-12H,1-4H3,(H,23,28)
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1.63E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM11021
PNG
((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]
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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2.40E+3 -7.66n/an/an/an/an/a7.425



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
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364453
PNG
(CHEMBL1950680)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H19N5O3/c1-12-4-6-14(7-5-12)19(27)22-15-10-8-13(9-11-15)17-23-16-18(24-17)25(2)21(29)26(3)20(16)28/h4-11H,1-3H3,(H,22,27)(H,23,24)
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2.77E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364453
PNG
(CHEMBL1950680)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H19N5O3/c1-12-4-6-14(7-5-12)19(27)22-15-10-8-13(9-11-15)17-23-16-18(24-17)25(2)21(29)26(3)20(16)28/h4-11H,1-3H3,(H,22,27)(H,23,24)
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2.77E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364459
PNG
(CHEMBL1950686)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H19N5O3/c1-12-7-9-13(10-8-12)19(27)22-15-6-4-5-14(11-15)17-23-16-18(24-17)25(2)21(29)26(3)20(16)28/h4-11H,1-3H3,(H,22,27)(H,23,24)
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2.87E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364461
PNG
(CHEMBL1950688)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H19N5O3/c1-24-16-18(25(2)21(29)26(3)20(16)28)23-17(24)14-10-7-11-15(12-14)22-19(27)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,22,27)
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2.95E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50148573
PNG
((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Show SMILES O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1
Show InChI InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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3.19E+3n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAOB


Bioorg Med Chem Lett 20: 537-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.106
BindingDB Entry DOI: 10.7270/Q2000264
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364460
PNG
(CHEMBL1950687)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H19N5O4/c1-25-18-16(20(28)26(2)21(25)29)23-17(24-18)13-5-4-6-14(11-13)22-19(27)12-7-9-15(30-3)10-8-12/h4-11H,1-3H3,(H,22,27)(H,23,24)
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3.49E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364460
PNG
(CHEMBL1950687)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H19N5O4/c1-25-18-16(20(28)26(2)21(25)29)23-17(24-18)13-5-4-6-14(11-13)22-19(27)12-7-9-15(30-3)10-8-12/h4-11H,1-3H3,(H,22,27)(H,23,24)
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3.49E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364462
PNG
(CHEMBL1950689)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C22H21N5O3/c1-13-8-10-14(11-9-13)20(28)23-16-7-5-6-15(12-16)18-24-19-17(25(18)2)21(29)27(4)22(30)26(19)3/h5-12H,1-4H3,(H,23,28)
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3.56E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364463
PNG
(CHEMBL1950690)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C22H21N5O4/c1-25-17-19(26(2)22(30)27(3)21(17)29)24-18(25)14-6-5-7-15(12-14)23-20(28)13-8-10-16(31-4)11-9-13/h5-12H,1-4H3,(H,23,28)
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3.92E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364463
PNG
(CHEMBL1950690)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C22H21N5O4/c1-25-17-19(26(2)22(30)27(3)21(17)29)24-18(25)14-6-5-7-15(12-14)23-20(28)13-8-10-16(31-4)11-9-13/h5-12H,1-4H3,(H,23,28)
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3.92E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364454
PNG
(CHEMBL1950681)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H19N5O4/c1-25-18-16(20(28)26(2)21(25)29)23-17(24-18)12-4-8-14(9-5-12)22-19(27)13-6-10-15(30-3)11-7-13/h4-11H,1-3H3,(H,22,27)(H,23,24)
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3.97E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364458
PNG
(CHEMBL1950685)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H17N5O3/c1-24-17-15(19(27)25(2)20(24)28)22-16(23-17)13-9-6-10-14(11-13)21-18(26)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,26)(H,22,23)
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4.21E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50364458
PNG
(CHEMBL1950685)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H17N5O3/c1-24-17-15(19(27)25(2)20(24)28)22-16(23-17)13-9-6-10-14(11-13)21-18(26)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,26)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.21E+3n/an/an/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy...


Bioorg Med Chem Lett 22: 1739-42 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B
More data for this
Ligand-Target Pair