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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'le?nik' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] A


(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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40n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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220n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50506401
PNG
(CHEMBL4450588)
Show SMILES Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1
Show InChI InChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-
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230n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
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 |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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970n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50506401
PNG
(CHEMBL4450588)
Show SMILES Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1
Show InChI InChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-
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1.01E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506400
PNG
(CHEMBL4458212)
Show SMILES FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3+
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1.25E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506402
PNG
(CHEMBL4558431)
Show SMILES CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H27N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,7-10,16,18H,5-6,11-15H2,2-3H3
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1.36E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506394
PNG
(CHEMBL4576799)
Show SMILES Fc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H18FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
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1.38E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506394
PNG
(CHEMBL4576799)
Show SMILES Fc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H18FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
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1.92E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
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 |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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5.68E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506402
PNG
(CHEMBL4558431)
Show SMILES CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H27N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,7-10,16,18H,5-6,11-15H2,2-3H3
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6.55E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506400
PNG
(CHEMBL4458212)
Show SMILES FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3+
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1.73E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
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 3.40n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506402
PNG
(CHEMBL4558431)
Show SMILES CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H27N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,7-10,16,18H,5-6,11-15H2,2-3H3
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n/an/a 7n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506417
PNG
(CHEMBL4465204)
Show SMILES FC(F)(F)c1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H20F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,5-8,15H,3-4,9-13H2
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n/an/a 11n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
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 |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 12n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506400
PNG
(CHEMBL4458212)
Show SMILES FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3+
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n/an/a 19n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506396
PNG
(CHEMBL4544548)
Show SMILES Brc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H18BrN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
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n/an/a 21n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506421
PNG
(CHEMBL4440827)
Show SMILES CS(=O)(=O)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H21NO2S/c1-3-12-18-13-10-16(11-14-18)5-4-15-6-8-17(9-7-15)21(2,19)20/h1,4-9,16H,10-14H2,2H3/b5-4+
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n/an/a 33n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
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 36n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506423
PNG
(CHEMBL4535439)
Show SMILES CCCc1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H27N/c1-3-5-17-6-8-18(9-7-17)10-11-19-12-15-20(14-4-2)16-13-19/h2,6-9,19H,3,5,10-16H2,1H3
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n/an/a 36n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506414
PNG
(CHEMBL4589551)
Show SMILES Clc1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H20ClN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,5-8,15H,3-4,9-13H2
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n/an/a 38n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506422
PNG
(CHEMBL4449776)
Show SMILES C#CCN1CCC(CC1)\C=C\c1ccc(cc1)C1CC1
Show InChI InChI=1S/C19H23N/c1-2-13-20-14-11-17(12-15-20)4-3-16-5-7-18(8-6-16)19-9-10-19/h1,3-8,17,19H,9-15H2/b4-3+
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n/an/a 44n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506429
PNG
(CHEMBL4572478)
Show SMILES CC(C)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H25N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,5-10,16,18H,11-15H2,2-3H3/b6-5+
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n/an/a 44n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506413
PNG
(CHEMBL4444081)
Show SMILES Clc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H18ClN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
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n/an/a 50n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506398
PNG
(CHEMBL4581765)
Show SMILES C#CCN1CCC(CC1)\C=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C17H18N2/c1-2-11-19-12-9-16(10-13-19)4-3-15-5-7-17(14-18)8-6-15/h1,3-8,16H,9-13H2/b4-3+
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n/an/a 57n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506419
PNG
(CHEMBL4540242)
Show SMILES C#CCN1CCC(CCc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C17H20N2/c1-2-11-19-12-9-16(10-13-19)4-3-15-5-7-17(14-18)8-6-15/h1,5-8,16H,3-4,9-13H2
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n/an/a 57n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506415
PNG
(CHEMBL4533162)
Show SMILES COc1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H23NO/c1-3-12-18-13-10-16(11-14-18)5-4-15-6-8-17(19-2)9-7-15/h1,6-9,16H,4-5,10-14H2,2H3
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n/an/a 67n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506440
PNG
(CHEMBL4564672)
Show SMILES COc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H21NO/c1-3-12-18-13-10-16(11-14-18)5-4-15-6-8-17(19-2)9-7-15/h1,4-9,16H,10-14H2,2H3/b5-4+
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n/an/a 68n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50506401
PNG
(CHEMBL4450588)
Show SMILES Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1
Show InChI InChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-
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n/an/a 68n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506439
PNG
(CHEMBL4556816)
Show SMILES Cc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H21N/c1-3-12-18-13-10-17(11-14-18)9-8-16-6-4-15(2)5-7-16/h1,4-9,17H,10-14H2,2H3/b9-8+
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n/an/a 147n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506410
PNG
(CHEMBL4548398)
Show SMILES Cc1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H23N/c1-3-12-18-13-10-17(11-14-18)9-8-16-6-4-15(2)5-7-16/h1,4-7,17H,8-14H2,2H3
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n/an/a 159n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50506425
PNG
(CHEMBL4446532)
Show SMILES C#CCN1CCC(CC1)\C=C/c1ccccc1
Show InChI InChI=1S/C16H19N/c1-2-12-17-13-10-16(11-14-17)9-8-15-6-4-3-5-7-15/h1,3-9,16H,10-14H2/b9-8-
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n/an/a 169n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 196n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506399
PNG
(CHEMBL4562988)
Show SMILES Fc1cc(F)c(CCC2CCN(CC#C)CC2)cc1F
Show InChI InChI=1S/C16H18F3N/c1-2-7-20-8-5-12(6-9-20)3-4-13-10-15(18)16(19)11-14(13)17/h1,10-12H,3-9H2
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n/an/a 216n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506394
PNG
(CHEMBL4576799)
Show SMILES Fc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H18FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
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n/an/a 342n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506430
PNG
(CHEMBL4534686)
Show SMILES Fc1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H20FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,5-8,15H,3-4,9-13H2
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n/an/a 370n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506409
PNG
(CHEMBL4471244)
Show SMILES Fc1ccc(\C=C\C2CCN(CC#C)CC2)c(Cl)c1
Show InChI InChI=1S/C16H17ClFN/c1-2-9-19-10-7-13(8-11-19)3-4-14-5-6-15(18)12-16(14)17/h1,3-6,12-13H,7-11H2/b4-3+
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n/an/a 418n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506431
PNG
(CHEMBL4476198)
Show SMILES Fc1cc(F)c(\C=C\C2CCN(CC#C)CC2)cc1F
Show InChI InChI=1S/C16H16F3N/c1-2-7-20-8-5-12(6-9-20)3-4-13-10-15(18)16(19)11-14(13)17/h1,3-4,10-12H,5-9H2/b4-3+
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n/an/a 436n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506432
PNG
(CHEMBL4539823)
Show SMILES FC(F)(F)c1cccc(CCC2CCN(CC#C)CC2)c1
Show InChI InChI=1S/C17H20F3N/c1-2-10-21-11-8-14(9-12-21)6-7-15-4-3-5-16(13-15)17(18,19)20/h1,3-5,13-14H,6-12H2
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n/an/a 502n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506434
PNG
(CHEMBL4446154)
Show SMILES FC(F)(F)c1cccc(\C=C\C2CCN(CC#C)CC2)c1
Show InChI InChI=1S/C17H18F3N/c1-2-10-21-11-8-14(9-12-21)6-7-15-4-3-5-16(13-15)17(18,19)20/h1,3-7,13-14H,8-12H2/b7-6+
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n/an/a 550n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50506438
PNG
(CHEMBL4575225)
Show SMILES Fc1ccc(\C=C/C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H18FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3-
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n/an/a 726n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50506418
PNG
(CHEMBL4462585)
Show SMILES FC(F)(F)c1cccc(\C=C/C2CCN(CC#C)CC2)c1
Show InChI InChI=1S/C17H18F3N/c1-2-10-21-11-8-14(9-12-21)6-7-15-4-3-5-16(13-15)17(18,19)20/h1,3-7,13-14H,8-12H2/b7-6-
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n/an/a 858n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506433
PNG
(CHEMBL4520811)
Show SMILES Fc1ccc(\C=C\C2CCCN(CC#C)C2)cc1
Show InChI InChI=1S/C16H18FN/c1-2-11-18-12-3-4-15(13-18)6-5-14-7-9-16(17)10-8-14/h1,5-10,15H,3-4,11-13H2/b6-5+
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n/an/a 1.47E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506416
PNG
(CHEMBL4592424)
Show SMILES FC(F)(F)c1ccc(\C=C/C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3-
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UniChem
Article
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506393
PNG
(CHEMBL4531803)
Show SMILES NC(=O)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H20N2O/c1-2-11-19-12-9-15(10-13-19)4-3-14-5-7-16(8-6-14)17(18)20/h1,3-8,15H,9-13H2,(H2,18,20)/b4-3+
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.74E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506392
PNG
(CHEMBL4468776)
Show SMILES C#CCN1CCC(CC1)\C=C/c1ccc(cc1)C#N
Show InChI InChI=1S/C17H18N2/c1-2-11-19-12-9-16(10-13-19)4-3-15-5-7-17(14-18)8-6-15/h1,3-8,16H,9-13H2/b4-3-
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n/an/a 1.75E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506411
PNG
(CHEMBL4454737)
Show SMILES CC(C)c1ccc(\C=C/C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H25N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,5-10,16,18H,11-15H2,2-3H3/b6-5-
PDB

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n/an/a 1.88E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506437
PNG
(CHEMBL4592809)
Show SMILES Fc1cc(F)c(\C=C\C2CCCN(CC#C)C2)cc1F
Show InChI InChI=1S/C16H16F3N/c1-2-7-20-8-3-4-12(11-20)5-6-13-9-15(18)16(19)10-14(13)17/h1,5-6,9-10,12H,3-4,7-8,11H2/b6-5+
PDB

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Article
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506436
PNG
(CHEMBL4564938)
Show SMILES C#CCN1CCC(CC1)\C=C/c1ccc(cc1)C1CC1
Show InChI InChI=1S/C19H23N/c1-2-13-20-14-11-17(12-15-20)4-3-16-5-7-18(8-6-16)19-9-10-19/h1,3-8,17,19H,9-15H2/b4-3-
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
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PC sid
UniChem
Article
PubMed
n/an/a 2.64E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
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