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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50010214   
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))
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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n/an/a 18n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
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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n/an/a 20n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536264
PNG
(CHEMBL4592550)
Show SMILES CN(CC#C)Cc1ccc(Cc2cn(C)nn2)cc1
Show InChI InChI=1S/C15H18N4/c1-4-9-18(2)11-14-7-5-13(6-8-14)10-15-12-19(3)17-16-15/h1,5-8,12H,9-11H2,2-3H3
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n/an/a 500n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536264
PNG
(CHEMBL4592550)
Show SMILES CN(CC#C)Cc1ccc(Cc2cn(C)nn2)cc1
Show InChI InChI=1S/C15H18N4/c1-4-9-18(2)11-14-7-5-13(6-8-14)10-15-12-19(3)17-16-15/h1,5-8,12H,9-11H2,2-3H3
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n/an/a 600n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
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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n/an/a 2.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536257
PNG
(CHEMBL4577856)
Show SMILES CN(CC#C)Cc1cccc(Cc2cn(C)nn2)c1
Show InChI InChI=1S/C15H18N4/c1-4-8-18(2)11-14-7-5-6-13(9-14)10-15-12-19(3)17-16-15/h1,5-7,9,12H,8,10-11H2,2-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536260
PNG
(CHEMBL4527885)
Show SMILES CN(CCc1cn(Cc2ccccc2)nn1)CC#C
Show InChI InChI=1S/C15H18N4/c1-3-10-18(2)11-9-15-13-19(17-16-15)12-14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536263
PNG
(CHEMBL4533245)
Show SMILES CN(CCc1ccc(Cc2cn(C)nn2)cc1)CC#C
Show InChI InChI=1S/C16H20N4/c1-4-10-19(2)11-9-14-5-7-15(8-6-14)12-16-13-20(3)18-17-16/h1,5-8,13H,9-12H2,2-3H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536265
PNG
(CHEMBL4553398)
Show SMILES CCc1c(CCN(C)CC#C)nnn1-c1ccccc1
Show InChI InChI=1S/C16H20N4/c1-4-12-19(3)13-11-15-16(5-2)20(18-17-15)14-9-7-6-8-10-14/h1,6-10H,5,11-13H2,2-3H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536268
PNG
(CHEMBL4586575)
Show SMILES CN(CC#C)Cc1cn(CCc2ccccc2)nn1
Show InChI InChI=1S/C15H18N4/c1-3-10-18(2)12-15-13-19(17-16-15)11-9-14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536258
PNG
(CHEMBL4555401)
Show SMILES CCCCc1c(CCN(C)CC#C)nnn1-c1ccccc1
Show InChI InChI=1S/C18H24N4/c1-4-6-12-18-17(13-15-21(3)14-5-2)19-20-22(18)16-10-8-7-9-11-16/h2,7-11H,4,6,12-15H2,1,3H3
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n/an/a 1.73E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536259
PNG
(CHEMBL4550073)
Show SMILES CCCc1c(CCN(C)CC#C)nnn1-c1ccccc1
Show InChI InChI=1S/C17H22N4/c1-4-9-17-16(12-14-20(3)13-5-2)18-19-21(17)15-10-7-6-8-11-15/h2,6-8,10-11H,4,9,12-14H2,1,3H3
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n/an/a 2.61E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536263
PNG
(CHEMBL4533245)
Show SMILES CN(CCc1ccc(Cc2cn(C)nn2)cc1)CC#C
Show InChI InChI=1S/C16H20N4/c1-4-10-19(2)11-9-14-5-7-15(8-6-14)12-16-13-20(3)18-17-16/h1,5-8,13H,9-12H2,2-3H3
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n/an/a 2.74E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536267
PNG
(CHEMBL4540147)
Show SMILES CC(c1ccccc1)n1nnc(CCN(C)CC#C)c1C
Show InChI InChI=1S/C17H22N4/c1-5-12-20(4)13-11-17-15(3)21(19-18-17)14(2)16-9-7-6-8-10-16/h1,6-10,14H,11-13H2,2-4H3
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n/an/a 4.70E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536266
PNG
(CHEMBL4539821)
Show SMILES CN(CCc1cn(CCc2ccccc2)nn1)CC#C
Show InChI InChI=1S/C16H20N4/c1-3-11-19(2)12-10-16-14-20(18-17-16)13-9-15-7-5-4-6-8-15/h1,4-8,14H,9-13H2,2H3
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n/an/a 5.61E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536257
PNG
(CHEMBL4577856)
Show SMILES CN(CC#C)Cc1cccc(Cc2cn(C)nn2)c1
Show InChI InChI=1S/C15H18N4/c1-4-8-18(2)11-14-7-5-6-13(9-14)10-15-12-19(3)17-16-15/h1,5-7,9,12H,8,10-11H2,2-3H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
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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n/an/a 6.55E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536261
PNG
(CHEMBL4576759)
Show SMILES CCn1nnc(CCN(C)CC#C)c1C
Show InChI InChI=1S/C11H18N4/c1-5-8-14(4)9-7-11-10(3)15(6-2)13-12-11/h1H,6-9H2,2-4H3
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n/an/a 9.12E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536255
PNG
(CHEMBL4517423)
Show SMILES CCCCc1c(CN(C)CC#C)nnn1C
Show InChI InChI=1S/C12H20N4/c1-5-7-8-12-11(13-14-16(12)4)10-15(3)9-6-2/h2H,5,7-10H2,1,3-4H3
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n/an/a 9.47E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536260
PNG
(CHEMBL4527885)
Show SMILES CN(CCc1cn(Cc2ccccc2)nn1)CC#C
Show InChI InChI=1S/C15H18N4/c1-3-10-18(2)11-9-15-13-19(17-16-15)12-14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3
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n/an/a 9.71E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536262
PNG
(CHEMBL4525342)
Show SMILES CCn1nnc(CN(C)CC#C)c1C
Show InChI InChI=1S/C10H16N4/c1-5-7-13(4)8-10-9(3)14(6-2)12-11-10/h1H,6-8H2,2-4H3
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n/an/a 1.05E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536254
PNG
(CHEMBL4583494)
Show SMILES CN(CC#C)Cc1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C14H16N4/c1-3-9-17(2)11-14-12-18(16-15-14)10-13-7-5-4-6-8-13/h1,4-8,12H,9-11H2,2H3
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n/an/a 1.29E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536267
PNG
(CHEMBL4540147)
Show SMILES CC(c1ccccc1)n1nnc(CCN(C)CC#C)c1C
Show InChI InChI=1S/C17H22N4/c1-5-12-20(4)13-11-17-15(3)21(19-18-17)14(2)16-9-7-6-8-10-16/h1,6-10,14H,11-13H2,2-4H3
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n/an/a 1.34E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536256
PNG
(CHEMBL4527642)
Show SMILES CCn1cc(CN(C)CC#C)nn1
Show InChI InChI=1S/C9H14N4/c1-4-6-12(3)7-9-8-13(5-2)11-10-9/h1,8H,5-7H2,2-3H3
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n/an/a 1.35E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536258
PNG
(CHEMBL4555401)
Show SMILES CCCCc1c(CCN(C)CC#C)nnn1-c1ccccc1
Show InChI InChI=1S/C18H24N4/c1-4-6-12-18-17(13-15-21(3)14-5-2)19-20-22(18)16-10-8-7-9-11-16/h2,7-11H,4,6,12-15H2,1,3H3
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n/an/a 1.56E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536259
PNG
(CHEMBL4550073)
Show SMILES CCCc1c(CCN(C)CC#C)nnn1-c1ccccc1
Show InChI InChI=1S/C17H22N4/c1-4-9-17-16(12-14-20(3)13-5-2)18-19-21(17)15-10-7-6-8-11-15/h2,6-8,10-11H,4,9,12-14H2,1,3H3
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n/an/a 1.57E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536266
PNG
(CHEMBL4539821)
Show SMILES CN(CCc1cn(CCc2ccccc2)nn1)CC#C
Show InChI InChI=1S/C16H20N4/c1-3-11-19(2)12-10-16-14-20(18-17-16)13-9-15-7-5-4-6-8-15/h1,4-8,14H,9-13H2,2H3
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n/an/a 1.73E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536265
PNG
(CHEMBL4553398)
Show SMILES CCc1c(CCN(C)CC#C)nnn1-c1ccccc1
Show InChI InChI=1S/C16H20N4/c1-4-12-19(3)13-11-15-16(5-2)20(18-17-15)14-9-7-6-8-10-14/h1,6-10H,5,11-13H2,2-3H3
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n/an/a 2.13E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536261
PNG
(CHEMBL4576759)
Show SMILES CCn1nnc(CCN(C)CC#C)c1C
Show InChI InChI=1S/C11H18N4/c1-5-8-14(4)9-7-11-10(3)15(6-2)13-12-11/h1H,6-9H2,2-4H3
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n/an/a 2.38E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536256
PNG
(CHEMBL4527642)
Show SMILES CCn1cc(CN(C)CC#C)nn1
Show InChI InChI=1S/C9H14N4/c1-4-6-12(3)7-9-8-13(5-2)11-10-9/h1,8H,5-7H2,2-3H3
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n/an/a 2.49E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536262
PNG
(CHEMBL4525342)
Show SMILES CCn1nnc(CN(C)CC#C)c1C
Show InChI InChI=1S/C10H16N4/c1-5-7-13(4)8-10-9(3)14(6-2)12-11-10/h1H,6-8H2,2-4H3
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n/an/a 2.67E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536255
PNG
(CHEMBL4517423)
Show SMILES CCCCc1c(CN(C)CC#C)nnn1C
Show InChI InChI=1S/C12H20N4/c1-5-7-8-12-11(13-14-16(12)4)10-15(3)9-6-2/h2H,5,7-10H2,1,3-4H3
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n/an/a<3.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50536269
PNG
(CHEMBL4529704)
Show SMILES CCn1cc(CCN(C)CC#C)nn1
Show InChI InChI=1S/C10H16N4/c1-4-7-13(3)8-6-10-9-14(5-2)12-11-10/h1,9H,5-8H2,2-3H3
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n/an/a 3.74E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536268
PNG
(CHEMBL4586575)
Show SMILES CN(CC#C)Cc1cn(CCc2ccccc2)nn1
Show InChI InChI=1S/C15H18N4/c1-3-10-18(2)12-15-13-19(17-16-15)11-9-14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536254
PNG
(CHEMBL4583494)
Show SMILES CN(CC#C)Cc1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C14H16N4/c1-3-9-17(2)11-14-12-18(16-15-14)10-13-7-5-4-6-8-13/h1,4-8,12H,9-11H2,2H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50536269
PNG
(CHEMBL4529704)
Show SMILES CCn1cc(CCN(C)CC#C)nn1
Show InChI InChI=1S/C10H16N4/c1-4-7-13(3)8-6-10-9-14(5-2)12-11-10/h1,9H,5-8H2,2-3H3
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n/an/a 5.54E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...


Bioorg Med Chem 24: 4835-4854 (2016)


Article DOI: 10.1016/j.bmc.2016.06.045
BindingDB Entry DOI: 10.7270/Q2028W20
More data for this
Ligand-Target Pair