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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50001665   
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))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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PubMed
8.30E+3n/an/an/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-B using farnesylamine as substrate by horseradish peroxidase-Amplex red-coupled assay


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


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



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291895
PNG
(CHEMBL4177176)
Show SMILES Clc1ccc(cc1)C(=O)Nc1cccc(CCOc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C27H25ClN2O2/c1-2-16-29-25-14-13-24-23(25)7-4-8-26(24)32-17-15-19-5-3-6-22(18-19)30-27(31)20-9-11-21(28)12-10-20/h1,3-12,18,25,29H,13-17H2,(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
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 189n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291897
PNG
(CHEMBL4165326)
Show SMILES Fc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C19H18FNO/c1-2-11-21-18-10-9-17-16(18)7-4-8-19(17)22-13-14-5-3-6-15(20)12-14/h1,3-8,12,18,21H,9-11,13H2
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n/an/a 280n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291896
PNG
(CHEMBL4162029)
Show SMILES Clc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C19H18ClNO/c1-2-11-21-18-10-9-17-16(18)7-4-8-19(17)22-13-14-5-3-6-15(20)12-14/h1,3-8,12,18,21H,9-11,13H2
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n/an/a 330n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291906
PNG
(CHEMBL4172053)
Show SMILES Cc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C20H21NO/c1-3-12-21-19-11-10-18-17(19)8-5-9-20(18)22-14-16-7-4-6-15(2)13-16/h1,4-9,13,19,21H,10-12,14H2,2H3
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n/an/a 550n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291907
PNG
(CHEMBL4161773)
Show SMILES Brc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C19H18BrNO/c1-2-11-21-18-10-9-17-16(18)7-4-8-19(17)22-13-14-5-3-6-15(20)12-14/h1,3-8,12,18,21H,9-11,13H2
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n/an/a 650n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291904
PNG
(CHEMBL4171251)
Show SMILES Cc1ccc(COc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C20H21NO/c1-3-13-21-19-12-11-18-17(19)5-4-6-20(18)22-14-16-9-7-15(2)8-10-16/h1,4-10,19,21H,11-14H2,2H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291903
PNG
(CHEMBL4162054)
Show SMILES FC(F)(F)c1ccc(COc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C20H18F3NO/c1-2-12-24-18-11-10-17-16(18)4-3-5-19(17)25-13-14-6-8-15(9-7-14)20(21,22)23/h1,3-9,18,24H,10-13H2
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n/an/a 1.39E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291902
PNG
(CHEMBL4169976)
Show SMILES Fc1ccc(COc2cccc3C(CCc23)NCC#C)cc1F
Show InChI InChI=1S/C19H17F2NO/c1-2-10-22-18-9-7-15-14(18)4-3-5-19(15)23-12-13-6-8-16(20)17(21)11-13/h1,3-6,8,11,18,22H,7,9-10,12H2
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n/an/a 1.41E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291905
PNG
(CHEMBL4163351)
Show SMILES Fc1ccc(COc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C19H18FNO/c1-2-12-21-18-11-10-17-16(18)4-3-5-19(17)22-13-14-6-8-15(20)9-7-14/h1,3-9,18,21H,10-13H2
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n/an/a 1.87E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291883
PNG
(CHEMBL4168286)
Show SMILES C#CCNC1CCc2c1cccc2OCc1ccccc1
Show InChI InChI=1S/C19H19NO/c1-2-13-20-18-12-11-17-16(18)9-6-10-19(17)21-14-15-7-4-3-5-8-15/h1,3-10,18,20H,11-14H2
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n/an/a 1.97E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291899
PNG
(CHEMBL4173822)
Show SMILES Clc1ccc(CCOc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C20H20ClNO/c1-2-13-22-19-11-10-18-17(19)4-3-5-20(18)23-14-12-15-6-8-16(21)9-7-15/h1,3-9,19,22H,10-14H2
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n/an/a 2.51E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291892
PNG
(CHEMBL4165077)
Show SMILES C#CCNC1CCc2c1cccc2OCCOc1cccc2ccccc12
Show InChI InChI=1S/C24H23NO2/c1-2-15-25-22-14-13-21-20(22)10-6-12-24(21)27-17-16-26-23-11-5-8-18-7-3-4-9-19(18)23/h1,3-12,22,25H,13-17H2
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n/an/a 3.39E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291900
PNG
(CHEMBL4173420)
Show SMILES C#CCNC1CCc2c1cccc2OCCc1ccccc1
Show InChI InChI=1S/C20H21NO/c1-2-14-21-19-12-11-18-17(19)9-6-10-20(18)22-15-13-16-7-4-3-5-8-16/h1,3-10,19,21H,11-15H2
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n/an/a 3.87E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291904
PNG
(CHEMBL4171251)
Show SMILES Cc1ccc(COc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C20H21NO/c1-3-13-21-19-12-11-18-17(19)5-4-6-20(18)22-14-16-9-7-15(2)8-10-16/h1,4-10,19,21H,11-14H2,2H3
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n/an/a 4.33E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291893
PNG
(CHEMBL4175696)
Show SMILES C#CCNC1CCc2c1cccc2OCCOc1ccccc1
Show InChI InChI=1S/C20H21NO2/c1-2-13-21-19-12-11-18-17(19)9-6-10-20(18)23-15-14-22-16-7-4-3-5-8-16/h1,3-10,19,21H,11-15H2
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n/an/a 4.57E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291897
PNG
(CHEMBL4165326)
Show SMILES Fc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C19H18FNO/c1-2-11-21-18-10-9-17-16(18)7-4-8-19(17)22-13-14-5-3-6-15(20)12-14/h1,3-8,12,18,21H,9-11,13H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291886
PNG
(CHEMBL4172280)
Show SMILES CC(C)c1ccc(OCCCOc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C24H29NO2/c1-4-15-25-23-14-13-22-21(23)7-5-8-24(22)27-17-6-16-26-20-11-9-19(10-12-20)18(2)3/h1,5,7-12,18,23,25H,6,13-17H2,2-3H3
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n/an/a 5.38E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291891
PNG
(CHEMBL4173417)
Show SMILES CC(=O)Nc1cccc(OCCOc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C22H24N2O3/c1-3-12-23-21-11-10-20-19(21)8-5-9-22(20)27-14-13-26-18-7-4-6-17(15-18)24-16(2)25/h1,4-9,15,21,23H,10-14H2,2H3,(H,24,25)
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n/an/a 5.52E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291898
PNG
(CHEMBL4163111)
Show SMILES Clc1cccc(CCOc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C20H20ClNO/c1-2-12-22-19-10-9-18-17(19)7-4-8-20(18)23-13-11-15-5-3-6-16(21)14-15/h1,3-8,14,19,22H,9-13H2
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n/an/a 5.87E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291901
PNG
(CHEMBL4165497)
Show SMILES C#CCNC1CCc2c1cccc2OCc1ccc2ccccc2c1
Show InChI InChI=1S/C23H21NO/c1-2-14-24-22-13-12-21-20(22)8-5-9-23(21)25-16-17-10-11-18-6-3-4-7-19(18)15-17/h1,3-11,15,22,24H,12-14,16H2
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n/an/a 6.21E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291894
PNG
(CHEMBL4166555)
Show SMILES C#CCNC1CCc2c1cccc2SCc1ccccc1
Show InChI InChI=1S/C19H19NS/c1-2-13-20-18-12-11-17-16(18)9-6-10-19(17)21-14-15-7-4-3-5-8-15/h1,3-10,18,20H,11-14H2
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n/an/a 6.24E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291884
PNG
(CHEMBL4168915)
Show SMILES Cc1cc(OCCCOc2cccc3C(CCc23)NCC#C)cc(C)c1Cl
Show InChI InChI=1S/C23H26ClNO2/c1-4-11-25-21-10-9-20-19(21)7-5-8-22(20)27-13-6-12-26-18-14-16(2)23(24)17(3)15-18/h1,5,7-8,14-15,21,25H,6,9-13H2,2-3H3
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n/an/a 6.91E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291890
PNG
(CHEMBL4165494)
Show SMILES ClCC(=O)Nc1cccc(OCCOc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C22H23ClN2O3/c1-2-11-24-20-10-9-19-18(20)7-4-8-21(19)28-13-12-27-17-6-3-5-16(14-17)25-22(26)15-23/h1,3-8,14,20,24H,9-13,15H2,(H,25,26)
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n/an/a 6.91E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291896
PNG
(CHEMBL4162029)
Show SMILES Clc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C19H18ClNO/c1-2-11-21-18-10-9-17-16(18)7-4-8-19(17)22-13-14-5-3-6-15(20)12-14/h1,3-8,12,18,21H,9-11,13H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291902
PNG
(CHEMBL4169976)
Show SMILES Fc1ccc(COc2cccc3C(CCc23)NCC#C)cc1F
Show InChI InChI=1S/C19H17F2NO/c1-2-10-22-18-9-7-15-14(18)4-3-5-19(15)23-12-13-6-8-16(20)17(21)11-13/h1,3-6,8,11,18,22H,7,9-10,12H2
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n/an/a 7.22E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291905
PNG
(CHEMBL4163351)
Show SMILES Fc1ccc(COc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C19H18FNO/c1-2-12-21-18-11-10-17-16(18)4-3-5-19(17)22-13-14-6-8-15(20)9-7-14/h1,3-9,18,21H,10-13H2
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n/an/a 7.80E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291891
PNG
(CHEMBL4173417)
Show SMILES CC(=O)Nc1cccc(OCCOc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C22H24N2O3/c1-3-12-23-21-11-10-20-19(21)8-5-9-22(20)27-14-13-26-18-7-4-6-17(15-18)24-16(2)25/h1,4-9,15,21,23H,10-14H2,2H3,(H,24,25)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291900
PNG
(CHEMBL4173420)
Show SMILES C#CCNC1CCc2c1cccc2OCCc1ccccc1
Show InChI InChI=1S/C20H21NO/c1-2-14-21-19-12-11-18-17(19)9-6-10-20(18)22-15-13-16-7-4-3-5-8-16/h1,3-10,19,21H,11-15H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291895
PNG
(CHEMBL4177176)
Show SMILES Clc1ccc(cc1)C(=O)Nc1cccc(CCOc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C27H25ClN2O2/c1-2-16-29-25-14-13-24-23(25)7-4-8-26(24)32-17-15-19-5-3-6-22(18-19)30-27(31)20-9-11-21(28)12-10-20/h1,3-12,18,25,29H,13-17H2,(H,30,31)
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n/an/a 9.33E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291907
PNG
(CHEMBL4161773)
Show SMILES Brc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C19H18BrNO/c1-2-11-21-18-10-9-17-16(18)7-4-8-19(17)22-13-14-5-3-6-15(20)12-14/h1,3-8,12,18,21H,9-11,13H2
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n/an/a 9.55E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291899
PNG
(CHEMBL4173822)
Show SMILES Clc1ccc(CCOc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C20H20ClNO/c1-2-13-22-19-11-10-18-17(19)4-3-5-20(18)23-14-12-15-6-8-16(21)9-7-15/h1,3-9,19,22H,10-14H2
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n/an/a 1.02E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291889
PNG
(CHEMBL4169974)
Show SMILES C#CCNC1CCc2c1cccc2OCCCOc1ccccc1
Show InChI InChI=1S/C21H23NO2/c1-2-14-22-20-13-12-19-18(20)10-6-11-21(19)24-16-7-15-23-17-8-4-3-5-9-17/h1,3-6,8-11,20,22H,7,12-16H2
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n/an/a 1.02E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291887
PNG
(CHEMBL4161656)
Show SMILES CCc1ccc(OCCCOc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C23H27NO2/c1-3-15-24-22-14-13-21-20(22)7-5-8-23(21)26-17-6-16-25-19-11-9-18(4-2)10-12-19/h1,5,7-12,22,24H,4,6,13-17H2,2H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291906
PNG
(CHEMBL4172053)
Show SMILES Cc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C20H21NO/c1-3-12-21-19-11-10-18-17(19)8-5-9-20(18)22-14-16-7-4-6-15(2)13-16/h1,4-9,13,19,21H,10-12,14H2,2H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291893
PNG
(CHEMBL4175696)
Show SMILES C#CCNC1CCc2c1cccc2OCCOc1ccccc1
Show InChI InChI=1S/C20H21NO2/c1-2-13-21-19-12-11-18-17(19)9-6-10-20(18)23-15-14-22-16-7-4-3-5-8-16/h1,3-10,19,21H,11-15H2
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n/an/a 1.41E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291883
PNG
(CHEMBL4168286)
Show SMILES C#CCNC1CCc2c1cccc2OCc1ccccc1
Show InChI InChI=1S/C19H19NO/c1-2-13-20-18-12-11-17-16(18)9-6-10-19(17)21-14-15-7-4-3-5-8-15/h1,3-10,18,20H,11-14H2
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n/an/a 1.54E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291888
PNG
(CHEMBL4177430)
Show SMILES Ic1cccc(OCCCOc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C21H22INO2/c1-2-12-23-20-11-10-19-18(20)8-4-9-21(19)25-14-5-13-24-17-7-3-6-16(22)15-17/h1,3-4,6-9,15,20,23H,5,10-14H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291887
PNG
(CHEMBL4161656)
Show SMILES CCc1ccc(OCCCOc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C23H27NO2/c1-3-15-24-22-14-13-21-20(22)7-5-8-23(21)26-17-6-16-25-19-11-9-18(4-2)10-12-19/h1,5,7-12,22,24H,4,6,13-17H2,2H3
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n/an/a 3.14E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 binding to recombinant human VCAM by ramos cell assay


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291886
PNG
(CHEMBL4172280)
Show SMILES CC(C)c1ccc(OCCCOc2cccc3C(CCc23)NCC#C)cc1
Show InChI InChI=1S/C24H29NO2/c1-4-15-25-23-14-13-22-21(23)7-5-8-24(22)27-17-6-16-26-20-11-9-19(10-12-20)18(2)3/h1,5,7-12,18,23,25H,6,13-17H2,2-3H3
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n/an/a 4.27E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291890
PNG
(CHEMBL4165494)
Show SMILES ClCC(=O)Nc1cccc(OCCOc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C22H23ClN2O3/c1-2-11-24-20-10-9-19-18(20)7-4-8-21(19)28-13-12-27-17-6-3-5-16(14-17)25-22(26)15-23/h1,3-8,14,20,24H,9-13,15H2,(H,25,26)
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n/an/a>6.00E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
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>6.00E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291889
PNG
(CHEMBL4169974)
Show SMILES C#CCNC1CCc2c1cccc2OCCCOc1ccccc1
Show InChI InChI=1S/C21H23NO2/c1-2-14-22-20-13-12-19-18(20)10-6-11-21(19)24-16-7-15-23-17-8-4-3-5-9-17/h1,3-6,8-11,20,22H,7,12-16H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50291885
PNG
(CHEMBL4176778)
Show SMILES C#CCNC1CCc2c1cccc2OCCCOc1cccc2ccccc12
Show InChI InChI=1S/C25H25NO2/c1-2-16-26-23-15-14-22-21(23)11-6-13-25(22)28-18-7-17-27-24-12-5-9-19-8-3-4-10-20(19)24/h1,3-6,8-13,23,26H,7,14-18H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291892
PNG
(CHEMBL4165077)
Show SMILES C#CCNC1CCc2c1cccc2OCCOc1cccc2ccccc12
Show InChI InChI=1S/C24H23NO2/c1-2-15-25-22-14-13-21-20(22)10-6-12-24(21)27-17-16-26-23-11-5-8-18-7-3-4-9-19(18)23/h1,3-12,22,25H,13-17H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291894
PNG
(CHEMBL4166555)
Show SMILES C#CCNC1CCc2c1cccc2SCc1ccccc1
Show InChI InChI=1S/C19H19NS/c1-2-13-20-18-12-11-17-16(18)9-6-10-19(17)21-14-15-7-4-3-5-8-15/h1,3-10,18,20H,11-14H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50291888
PNG
(CHEMBL4177430)
Show SMILES Ic1cccc(OCCCOc2cccc3C(CCc23)NCC#C)c1
Show InChI InChI=1S/C21H22INO2/c1-2-12-23-20-11-10-19-18(20)8-4-9-21(19)25-14-5-13-24-17-7-3-6-16(22)15-17/h1,3-4,6-9,15,20,23H,5,10-14H2
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PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ...


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
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