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PubMed code 26964672

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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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n/an/a 189n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149979
PNG
(CHEMBL3770592)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(F)cc1 |c:12|
Show InChI InChI=1S/C23H22BrN5O5S/c1-14(30)27-19(12-22(31)29-21-11-8-16(24)13-26-21)23(32)28-17-9-6-15(7-10-17)18-4-2-3-5-20(18)35(25,33)34/h2-11,13,19H,12H2,1H3,(H,27,30)(H,28,32)(H2,25,33,34)(H,26,29,31)
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n/an/a 221n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149968
PNG
(CHEMBL3770343)
Show SMILES Fc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Show InChI InChI=1S/C30H34ClN5O3/c1-35(2)20-23-8-4-5-9-25(23)21-10-12-22(13-11-21)29(38)33-26(30(39)36-16-6-3-7-17-36)18-28(37)34-27-15-14-24(31)19-32-27/h4-5,8-15,19,26H,3,6-7,16-18,20H2,1-2H3,(H,33,38)(H,32,34,37)/t26-/m0/s1
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n/an/a 242n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
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 321n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149970
PNG
(CHEMBL3769793)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccccc1Cl |c:12|
Show InChI InChI=1S/C26H26BrN5O7S/c1-2-39-24(34)15-30-26(36)20(13-23(33)32-22-12-11-18(27)14-29-22)31-25(35)17-9-7-16(8-10-17)19-5-3-4-6-21(19)40(28,37)38/h3-12,14,20H,2,13,15H2,1H3,(H,30,36)(H,31,35)(H2,28,37,38)(H,29,32,33)
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n/an/a 348n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149978
PNG
(CHEMBL3770032)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(Cl)cc1 |c:12|
Show InChI InChI=1S/C23H23BrN6O5S/c24-15-7-10-20(27-13-15)30-21(31)11-18(29-22(32)12-25)23(33)28-16-8-5-14(6-9-16)17-3-1-2-4-19(17)36(26,34)35/h1-10,13,18H,11-12,25H2,(H,28,33)(H,29,32)(H2,26,34,35)(H,27,30,31)
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n/an/a 452n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149969
PNG
(CHEMBL3769971)
Show SMILES COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)cc(Br)c1OCC2=O |t:9|
Show InChI InChI=1S/C24H24BrN5O5S/c1-2-22(31)29-19(13-23(32)30-21-12-9-16(25)14-27-21)24(33)28-17-10-7-15(8-11-17)18-5-3-4-6-20(18)36(26,34)35/h3-12,14,19H,2,13H2,1H3,(H,28,33)(H,29,31)(H2,26,34,35)(H,27,30,32)
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n/an/a 467n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149967
PNG
(CHEMBL3771168)
Show SMILES Clc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Show InChI InChI=1S/C24H29ClN6O3/c1-30(2)22(26)16-6-8-17(9-7-16)23(33)28-19(24(34)31-12-4-3-5-13-31)14-21(32)29-20-11-10-18(25)15-27-20/h6-11,15,19,26H,3-5,12-14H2,1-2H3,(H,28,33)(H,27,29,32)/t19-/m0/s1
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n/an/a 504n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149975
PNG
(CHEMBL3770982)
Show SMILES Fc1ccccc1C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Show InChI InChI=1S/C32H36BrN5O3/c33-26-14-15-29(34-21-26)36-30(39)20-28(32(41)38-18-4-1-5-19-38)35-31(40)24-12-10-23(11-13-24)27-9-3-2-8-25(27)22-37-16-6-7-17-37/h2-3,8-15,21,28H,1,4-7,16-20,22H2,(H,35,40)(H,34,36,39)/t28-/m0/s1
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n/an/a 584n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149965
PNG
(CHEMBL3771008)
Show SMILES Clc1ccccc1C1=NN2C(C1)c1ccccc1OCC2=O |t:8|
Show InChI InChI=1S/C24H29ClN6O3/c1-30(2)22(26)16-6-8-17(9-7-16)23(33)28-19(24(34)31-12-4-3-5-13-31)14-21(32)29-20-11-10-18(25)15-27-20/h6-11,15,19,26H,3-5,12-14H2,1-2H3,(H,28,33)(H,27,29,32)/t19-/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149966
PNG
(CHEMBL3770839)
Show SMILES Cc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Show InChI InChI=1S/C32H36ClN5O4/c33-26-12-13-29(34-21-26)36-30(39)20-28(32(41)38-14-4-1-5-15-38)35-31(40)24-10-8-23(9-11-24)27-7-3-2-6-25(27)22-37-16-18-42-19-17-37/h2-3,6-13,21,28H,1,4-5,14-20,22H2,(H,35,40)(H,34,36,39)/t28-/m0/s1
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n/an/a 1.63E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149972
PNG
(CHEMBL3770481)
Show SMILES Fc1ccc(cc1)C1=NN2C(C1)c1ccccc1OCC2=O |t:8|
Show InChI InChI=1S/C22H20BrN3O4S/c23-17-9-11-18(12-10-17)26-21(27)13-14-25-22(28)16-7-5-15(6-8-16)19-3-1-2-4-20(19)31(24,29)30/h1-12H,13-14H2,(H,25,28)(H,26,27)(H2,24,29,30)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50149963
PNG
(CHEMBL3770527)
Show SMILES O=C1COc2ccccc2C2CC(=NN12)c1ccccc1 |c:13|
Show InChI InChI=1S/C24H21ClN4O4S/c25-18-9-10-20-17(13-18)14-21(29-20)24(31)28-12-11-27-23(30)16-7-5-15(6-8-16)19-3-1-2-4-22(19)34(26,32)33/h1-10,13-14,29H,11-12H2,(H,27,30)(H,28,31)(H2,26,32,33)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149974
PNG
(CHEMBL3769823)
Show SMILES Clc1ccc2OCC(=O)N3N=C(CC3c2c1)c1ccccc1 |c:10|
Show InChI InChI=1S/C22H20BrN3O4S/c23-18-11-9-17(10-12-18)22(28)26-14-13-25-21(27)16-7-5-15(6-8-16)19-3-1-2-4-20(19)31(24,29)30/h1-12H,13-14H2,(H,25,27)(H,26,28)(H2,24,29,30)
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n/an/a 2.57E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149973
PNG
(CHEMBL3770540)
Show SMILES COc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:9|
Show InChI InChI=1S/C32H36ClN5O3/c33-26-14-15-29(34-21-26)36-30(39)20-28(32(41)38-18-4-1-5-19-38)35-31(40)24-12-10-23(11-13-24)27-9-3-2-8-25(27)22-37-16-6-7-17-37/h2-3,8-15,21,28H,1,4-7,16-20,22H2,(H,35,40)(H,34,36,39)/t28-/m0/s1
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n/an/a 2.72E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149963
PNG
(CHEMBL3770527)
Show SMILES O=C1COc2ccccc2C2CC(=NN12)c1ccccc1 |c:13|
Show InChI InChI=1S/C24H21ClN4O4S/c25-18-9-10-20-17(13-18)14-21(29-20)24(31)28-12-11-27-23(30)16-7-5-15(6-8-16)19-3-1-2-4-22(19)34(26,32)33/h1-10,13-14,29H,11-12H2,(H,27,30)(H,28,31)(H2,26,32,33)
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n/an/a 2.88E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149971
PNG
(CHEMBL3769885)
Show SMILES CC(C)c1ccc(cc1)C1=NN2C(C1)c1ccccc1OCC2=O |t:10|
Show InChI InChI=1S/C25H29ClN6O3/c1-31-14-11-27-23(31)17-5-7-18(8-6-17)24(34)29-20(25(35)32-12-3-2-4-13-32)15-22(33)30-21-10-9-19(26)16-28-21/h5-10,16,20H,2-4,11-15H2,1H3,(H,29,34)(H,28,30,33)/t20-/m1/s1
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n/an/a 3.52E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50149966
PNG
(CHEMBL3770839)
Show SMILES Cc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Show InChI InChI=1S/C32H36ClN5O4/c33-26-12-13-29(34-21-26)36-30(39)20-28(32(41)38-14-4-1-5-15-38)35-31(40)24-10-8-23(9-11-24)27-7-3-2-6-25(27)22-37-16-18-42-19-17-37/h2-3,6-13,21,28H,1,4-5,14-20,22H2,(H,35,40)(H,34,36,39)/t28-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50149970
PNG
(CHEMBL3769793)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccccc1Cl |c:12|
Show InChI InChI=1S/C26H26BrN5O7S/c1-2-39-24(34)15-30-26(36)20(13-23(33)32-22-12-11-18(27)14-29-22)31-25(35)17-9-7-16(8-10-17)19-5-3-4-6-21(19)40(28,37)38/h3-12,14,20H,2,13,15H2,1H3,(H,30,36)(H,31,35)(H2,28,37,38)(H,29,32,33)
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n/an/a 4.06E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50149968
PNG
(CHEMBL3770343)
Show SMILES Fc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Show InChI InChI=1S/C30H34ClN5O3/c1-35(2)20-23-8-4-5-9-25(23)21-10-12-22(13-11-21)29(38)33-26(30(39)36-16-6-3-7-17-36)18-28(37)34-27-15-14-24(31)19-32-27/h4-5,8-15,19,26H,3,6-7,16-18,20H2,1-2H3,(H,33,38)(H,32,34,37)/t26-/m0/s1
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n/an/a 4.65E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50149967
PNG
(CHEMBL3771168)
Show SMILES Clc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Show InChI InChI=1S/C24H29ClN6O3/c1-30(2)22(26)16-6-8-17(9-7-16)23(33)28-19(24(34)31-12-4-3-5-13-31)14-21(32)29-20-11-10-18(25)15-27-20/h6-11,15,19,26H,3-5,12-14H2,1-2H3,(H,28,33)(H,27,29,32)/t19-/m0/s1
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n/an/a 4.71E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50149969
PNG
(CHEMBL3769971)
Show SMILES COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)cc(Br)c1OCC2=O |t:9|
Show InChI InChI=1S/C24H24BrN5O5S/c1-2-22(31)29-19(13-23(32)30-21-12-9-16(25)14-27-21)24(33)28-17-10-7-15(8-11-17)18-5-3-4-6-20(18)36(26,34)35/h3-12,14,19H,2,13H2,1H3,(H,28,33)(H,29,31)(H2,26,34,35)(H,27,30,32)
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n/an/a 4.76E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149977
PNG
(CHEMBL3770053)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C28H25BrN6O5S/c29-20-14-15-25(31-16-20)35-27(37)23(34-28(38)33-21-6-2-1-3-7-21)17-32-26(36)19-12-10-18(11-13-19)22-8-4-5-9-24(22)41(30,39)40/h1-16,23H,17H2,(H,32,36)(H2,30,39,40)(H,31,35,37)(H2,33,34,38)
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n/an/a 3.47E+4n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50149976
PNG
(CHEMBL3770129)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(C)cc1 |c:12|
Show InChI InChI=1S/C27H23BrN6O5S/c28-19-9-12-24(31-16-19)34-25(35)14-22(33-26(36)18-4-3-13-30-15-18)27(37)32-20-10-7-17(8-11-20)21-5-1-2-6-23(21)40(29,38)39/h1-13,15-16,22H,14H2,(H,32,37)(H,33,36)(H2,29,38,39)(H,31,34,35)
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n/an/a 4.52E+4n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50149964
PNG
(CHEMBL3770028)
Show SMILES Clc1ccc(cc1)C1=NN2C(C1)c1ccccc1OCC2=O |t:8|
Show InChI InChI=1S/C25H29ClN6O3/c1-31-14-11-27-23(31)17-5-7-18(8-6-17)24(34)29-20(25(35)32-12-3-2-4-13-32)15-22(33)30-21-10-9-19(26)16-28-21/h5-10,16,20H,2-4,11-15H2,1H3,(H,29,34)(H,28,30,33)/t20-/m0/s1
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n/an/a 5.33E+4n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50149965
PNG
(CHEMBL3771008)
Show SMILES Clc1ccccc1C1=NN2C(C1)c1ccccc1OCC2=O |t:8|
Show InChI InChI=1S/C24H29ClN6O3/c1-30(2)22(26)16-6-8-17(9-7-16)23(33)28-19(24(34)31-12-4-3-5-13-31)14-21(32)29-20-11-10-18(25)15-27-20/h6-11,15,19,26H,3-5,12-14H2,1-2H3,(H,28,33)(H,27,29,32)/t19-/m1/s1
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n/an/a 5.57E+4n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...

Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%