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Compile Data Set for Download or QSAR

Found 11152 hits Enz. Inhib. hit(s) with Target = 'Monoamine oxidase'   
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))
BDBM50430726
PNG
(CHEMBL2333930)
Show SMILES C[C@H](Cc1ccc(OCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C
Show InChI InChI=1S/C34H44ClN3O/c1-4-22-38(3)26(2)24-27-15-18-29(19-16-27)39-23-12-8-6-5-7-11-21-36-34-30-13-9-10-14-32(30)37-33-25-28(35)17-20-31(33)34/h1,15-20,25-26H,5-14,21-24H2,2-3H3,(H,36,37)/t26-/m1/s1
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0.129n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB


J Med Chem 58: 6717-32 (2015)


Article DOI: 10.1021/jm501690r
BindingDB Entry DOI: 10.7270/Q2VT1TWM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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0.170n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50334292
PNG
(5-(4-Phenylbutyl)isatin | CHEMBL1642678)
Show SMILES O=C1Nc2ccc(CCCCc3ccccc3)cc2C1=O
Show InChI InChI=1S/C18H17NO2/c20-17-15-12-14(10-11-16(15)19-18(17)21)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,20,21)
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0.280n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells by fluorescence assay


Bioorg Med Chem 19: 261-74 (2011)


Article DOI: 10.1016/j.bmc.2010.11.028
BindingDB Entry DOI: 10.7270/Q2DR2VSB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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0.290n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087809
PNG
(CHEMBL298006 | Methyl-(1-methyl-1H-indol-2-ylmethy...)
Show SMILES CN(CC#C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C14H16N2/c1-4-9-15(2)11-13-10-12-7-5-6-8-14(12)16(13)3/h1,5-8,10H,9,11H2,2-3H3
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0.300n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341160
PNG
(3-(anthracen-9-yl)-5-(3-nitrophenyl)-4,5-dihydro-1...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C23H17N3O2/c27-26(28)18-9-5-8-17(13-18)21-14-22(25-24-21)23-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)23/h1-13,21-22H,14H2
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0.310n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50341160
PNG
(3-(anthracen-9-yl)-5-(3-nitrophenyl)-4,5-dihydro-1...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C23H17N3O2/c27-26(28)18-9-5-8-17(13-18)21-14-22(25-24-21)23-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)23/h1-13,21-22H,14H2
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0.450n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232429
PNG
(CHEMBL4104691)
Show SMILES COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
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0.480n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172755
PNG
(1,4-diphenyl-(1E,3E)-1,3-butadiene | CHEMBL198810)
Show SMILES C(\C=C\c1ccccc1)=C/c1ccccc1
Show InChI InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
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0.600n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB


J Med Chem 58: 6717-32 (2015)


Article DOI: 10.1021/jm501690r
BindingDB Entry DOI: 10.7270/Q2VT1TWM
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50341161
PNG
(3-(anthracen-9-yl)-5-(4-methoxyphenyl)-4,5-dihydro...)
Show SMILES COc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C24H20N2O/c1-27-19-12-10-16(11-13-19)22-15-23(26-25-22)24-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)24/h2-14,22-23H,15H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50361606
PNG
(CHEMBL1939851)
Show SMILES CCn1ccc(c1)N1C[C@H](COC)OC1=O
Show InChI InChI=1S/C11H16N2O3/c1-3-12-5-4-9(6-12)13-7-10(8-15-2)16-11(13)14/h4-6,10H,3,7-8H2,1-2H3/t10-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046865
PNG
(CHEMBL3319257)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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0.640n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
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0.75n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50361609
PNG
(CHEMBL1939853)
Show SMILES CCn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O
Show InChI InChI=1S/C10H13N5O2/c1-2-14-4-3-8(6-14)15-7-9(5-12-13-11)17-10(15)16/h3-4,6,9H,2,5,7H2,1H3/t9-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087796
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-prop-2-yn...)
Show SMILES COc1ccc2n(C)c(CNCC#C)cc2c1
Show InChI InChI=1S/C14H16N2O/c1-4-7-15-10-12-8-11-9-13(17-3)5-6-14(11)16(12)2/h1,5-6,8-9,15H,7,10H2,2-3H3
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0.800n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304157
PNG
(3-(2-Thienyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydr...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1S/C12H15N3S2/c13-12(16)15-11(10-6-3-7-17-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,16)
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0.900n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304152
PNG
(3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1S/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)
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0.960n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50273595
PNG
(CHEMBL462097 | N-(1H-Indol-2-ylmethyl)-N-methyl-N-...)
Show SMILES CN(CCc1ccccc1)Cc1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N2/c1-20(12-11-15-7-3-2-4-8-15)14-17-13-16-9-5-6-10-18(16)19-17/h2-10,13,19H,11-12,14H2,1H3
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1n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50361607
PNG
(CHEMBL1938411)
Show SMILES COC[C@H]1CN(C(=O)O1)c1ccn(CC=C)c1
Show InChI InChI=1S/C12H16N2O3/c1-3-5-13-6-4-10(7-13)14-8-11(9-16-2)17-12(14)15/h3-4,6-7,11H,1,5,8-9H2,2H3/t11-/m1/s1
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1n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11014
PNG
((-)-(S)1 | (5S)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m0/s1
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1 -53.6n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



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


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341152
PNG
(3-(anthracen-9-yl)-5-(4-nitrophenyl)-4,5-dihydro-1...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C23H17N3O2/c27-26(28)18-11-9-15(10-12-18)21-14-22(25-24-21)23-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)23/h1-13,21-22H,14H2
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1.15n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087791
PNG
(But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#CC)cc2c1
Show InChI InChI=1S/C16H20N2O/c1-5-6-9-17(2)12-14-10-13-11-15(19-4)7-8-16(13)18(14)3/h7-8,10-11H,9,12H2,1-4H3
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1.40n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087801
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-methyl-pr...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#C)cc2c1
Show InChI InChI=1S/C15H18N2O/c1-5-8-16(2)11-13-9-12-10-14(18-4)6-7-15(12)17(13)3/h1,6-7,9-10H,8,11H2,2-4H3
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1.5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11004
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)
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1.5 -52.6n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



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


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50273561
PNG
(CHEMBL459336 | N-Methyl,N-(3-phenylpropyl)-1-methy...)
Show SMILES CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C20H22N2O/c1-21(14-8-11-16-9-4-3-5-10-16)20(23)19-15-17-12-6-7-13-18(17)22(19)2/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341161
PNG
(3-(anthracen-9-yl)-5-(4-methoxyphenyl)-4,5-dihydro...)
Show SMILES COc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C24H20N2O/c1-27-19-12-10-16(11-13-19)22-15-23(26-25-22)24-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)24/h2-14,22-23H,15H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-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
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] B


(Homo sapiens (Human))
BDBM50341154
PNG
(3-(anthracen-9-yl)-5-(4-chlorophenyl)-4,5-dihydro-...)
Show SMILES Clc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C23H17ClN2/c24-18-11-9-15(10-12-18)21-14-22(26-25-21)23-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)23/h1-13,21-22H,14H2
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1.80n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50341154
PNG
(3-(anthracen-9-yl)-5-(4-chlorophenyl)-4,5-dihydro-...)
Show SMILES Clc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C23H17ClN2/c24-18-11-9-15(10-12-18)21-14-22(26-25-21)23-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)23/h1-13,21-22H,14H2
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2.10n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50341152
PNG
(3-(anthracen-9-yl)-5-(4-nitrophenyl)-4,5-dihydro-1...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C23H17N3O2/c27-26(28)18-11-9-15(10-12-18)21-14-22(25-24-21)23-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)23/h1-13,21-22H,14H2
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2.30n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50110715
PNG
(5-Methoxymethyl-3-[4-(4,4,4-trifluoro-3-hydroxy-bu...)
Show SMILES COC[C@@H]1CN(C(=O)O1)c1ccc(OCC[C@H](O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


Article DOI: 10.1021/jm015578d
BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50361617
PNG
(BEFLOXATONE)
Show SMILES COC[C@H]1CN(C(=O)O1)c1ccc(OCC[C@@H](O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11015
PNG
((+)-(R)1 | (5R)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m1/s1
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2.70 -51.0n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



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


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50087809
PNG
(CHEMBL298006 | Methyl-(1-methyl-1H-indol-2-ylmethy...)
Show SMILES CN(CC#C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C14H16N2/c1-4-9-15(2)11-13-10-12-7-5-6-8-14(12)16(13)3/h1,5-8,10H,9,11H2,2-3H3
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3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350637
PNG
(CHEMBL1813523)
Show SMILES Brc1ccc(COc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C15H10BrNO3/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)
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3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50361603
PNG
(CHEMBL1939848)
Show SMILES CCn1ccc(c1)N1C[C@H](CO)OC1=O
Show InChI InChI=1S/C10H14N2O3/c1-2-11-4-3-8(5-11)12-6-9(7-13)15-10(12)14/h3-5,9,13H,2,6-7H2,1H3/t9-/m1/s1
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3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
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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3.30n/an/an/an/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50341156
PNG
(3-(anthracen-9-yl)-5-phenyl-4,5-dihydro-1H-pyrazol...)
Show SMILES C1C(N=NC1c1c2ccccc2cc2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H18N2/c1-2-8-16(9-3-1)21-15-22(25-24-21)23-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)23/h1-14,21-22H,15H2
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3.43n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50145630
PNG
(CHEMBL3764447)
Show SMILES Clc1ccc(COc2ccc3sc(=O)oc3c2)cc1
Show InChI InChI=1S/C14H9ClO3S/c15-10-3-1-9(2-4-10)8-17-11-5-6-13-12(7-11)18-14(16)19-13/h1-7H,8H2
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3.5n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competition inhibition of recombinant human MAO-B pretreated with compound for 15 mins followed by addition of 50 uM kynuramine as substrate by Linew...


Bioorg Med Chem Lett 26: 1200-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.034
BindingDB Entry DOI: 10.7270/Q2154JWF
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50168981
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-pyrrolidin-...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-18-11-7-10-15(18)17(20)16(19-12-5-6-13-19)14-8-3-2-4-9-14/h2-4,7-11,16H,5-6,12-13H2,1H3/t16-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A


J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50273486
PNG
(CHEMBL464597 | N-Methyl,N-phenyl-1H-indole-2-carbo...)
Show SMILES CN(C(=O)c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C16H14N2O/c1-18(13-8-3-2-4-9-13)16(19)15-11-12-7-5-6-10-14(12)17-15/h2-11,17H,1H3
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3.5n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341155
PNG
(3-(anthracen-9-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C24H20N2/c1-16-10-12-17(13-11-16)22-15-23(26-25-22)24-20-8-4-2-6-18(20)14-19-7-3-5-9-21(19)24/h2-14,22-23H,15H2,1H3
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3.56n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
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3.60n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50333418
PNG
(7-(4,4,4-Trifluorobutoxy)-1-methyl-beta-carboline ...)
Show SMILES Cc1nccc2c3ccc(OCCCC(F)(F)F)cc3[nH]c12
Show InChI InChI=1S/C16H15F3N2O/c1-10-15-13(5-7-20-10)12-4-3-11(9-14(12)21-15)22-8-2-6-16(17,18)19/h3-5,7,9,21H,2,6,8H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50341155
PNG
(3-(anthracen-9-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C24H20N2/c1-16-10-12-17(13-11-16)22-15-23(26-25-22)24-20-8-4-2-6-18(20)14-19-7-3-5-9-21(19)24/h2-14,22-23H,15H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50333415
PNG
(7-(Isobutyloxy)-1-methyl-beta-carboline | CHEMBL16...)
Show SMILES CC(C)COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C16H18N2O/c1-10(2)9-19-12-4-5-13-14-6-7-17-11(3)16(14)18-15(13)8-12/h4-8,10,18H,9H2,1-3H3
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3.90n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50145630
PNG
(CHEMBL3764447)
Show SMILES Clc1ccc(COc2ccc3sc(=O)oc3c2)cc1
Show InChI InChI=1S/C14H9ClO3S/c15-10-3-1-9(2-4-10)8-17-11-5-6-13-12(7-11)18-14(16)19-13/h1-7H,8H2
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3.90n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B pretreated with compound for 15 mins followed by addition of 50 uM kynuramine as substrate by Michaelis-Menten ...


Bioorg Med Chem Lett 26: 1200-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.034
BindingDB Entry DOI: 10.7270/Q2154JWF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
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3.90n/an/an/an/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
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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3.90n/an/an/an/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 min...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
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