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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50027556   
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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 2.01E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
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 2.05E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50245867
PNG
(3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-N-phenyl-4...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O
Show InChI InChI=1S/C23H21N3O2S/c1-28-18-13-11-16(12-14-18)21-15-20(19-9-5-6-10-22(19)27)25-26(21)23(29)24-17-7-3-2-4-8-17/h2-14,21,27H,15H2,1H3,(H,24,29)
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n/an/a 2.84E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
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 3.85E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50245966
PNG
(3-(2-hydroxyphenyl)-N-phenyl-5-(thiophen-2-yl)-4,5...)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C20H17N3OS2/c24-18-10-5-4-9-15(18)16-13-17(19-11-6-12-26-19)23(22-16)20(25)21-14-7-2-1-3-8-14/h1-12,17,24H,13H2,(H,21,25)
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n/an/a 5.56E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50245969
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-4,5-dihydr...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C16H15N3O2S/c17-16(22)19-14(10-5-7-11(20)8-6-10)9-13(18-19)12-3-1-2-4-15(12)21/h1-8,14,20-21H,9H2,(H2,17,22)
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n/an/a 1.95E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50245813
PNG
(5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-N-phenyl-4,...)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccccc1Cl)C(=S)Nc1ccccc1
Show InChI InChI=1S/C22H18ClN3OS/c23-18-12-6-4-10-16(18)20-14-19(17-11-5-7-13-21(17)27)25-26(20)22(28)24-15-8-2-1-3-9-15/h1-13,20,27H,14H2,(H,24,28)
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n/an/a 2.01E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50245814
PNG
(5-(4-chlorophenyl)-3-(2-hydroxyphenyl)-N-phenyl-4,...)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccc(Cl)cc1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C22H18ClN3OS/c23-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)27)25-26(20)22(28)24-17-6-2-1-3-7-17/h1-13,20,27H,14H2,(H,24,28)
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n/an/a 2.32E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50245968
PNG
(3,5-bis(4-hydroxyphenyl)-N-phenyl-4,5-dihydro-1H-p...)
Show SMILES Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C22H19N3O2S/c26-18-10-6-15(7-11-18)20-14-21(16-8-12-19(27)13-9-16)25(24-20)22(28)23-17-4-2-1-3-5-17/h1-13,21,26-27H,14H2,(H,23,28)
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n/an/a 3.21E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50245967
PNG
(5-(furan-2-yl)-3-(2-hydroxyphenyl)-N-phenyl-4,5-di...)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccco1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C20H17N3O2S/c24-18-10-5-4-9-15(18)16-13-17(19-11-6-12-25-19)23(22-16)20(26)21-14-7-2-1-3-8-14/h1-12,17,24H,13H2,(H,21,26)
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n/an/a 3.34E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50245970
PNG
(5-(2-hydroxyphenyl)-N,3-diphenyl-4,5-dihydro-1H-py...)
Show SMILES Oc1ccccc1C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19N3OS/c26-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)24-25(20)22(27)23-17-11-5-2-6-12-17/h1-14,20,26H,15H2,(H,23,27)
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n/an/a 3.56E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246020
PNG
(3,5-bis(2-hydroxyphenyl)-N-p-tolyl-4,5-dihydro-1H-...)
Show SMILES Cc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2O)cc1
Show InChI InChI=1S/C23H21N3O2S/c1-15-10-12-16(13-11-15)24-23(29)26-20(18-7-3-5-9-22(18)28)14-19(25-26)17-6-2-4-8-21(17)27/h2-13,20,27-28H,14H2,1H3,(H,24,29)
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n/an/a 3.77E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246072
PNG
(5-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O
Show InChI InChI=1S/C23H21N3O3S/c1-29-22-13-15(11-12-21(22)28)19-14-18(17-9-5-6-10-20(17)27)25-26(19)23(30)24-16-7-3-2-4-8-16/h2-13,19,27-28H,14H2,1H3,(H,24,30)
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n/an/a 4.01E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246018
PNG
(3,5-bis(2-hydroxyphenyl)-N-(4-methoxyphenyl)-4,5-d...)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2O)cc1
Show InChI InChI=1S/C23H21N3O3S/c1-29-16-12-10-15(11-13-16)24-23(30)26-20(18-7-3-5-9-22(18)28)14-19(25-26)17-6-2-4-8-21(17)27/h2-13,20,27-28H,14H2,1H3,(H,24,30)
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n/an/a 4.08E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246019
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-N-(4-metho...)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2O)cc1
Show InChI InChI=1S/C23H21N3O3S/c1-29-18-12-8-16(9-13-18)24-23(30)26-21(15-6-10-17(27)11-7-15)14-20(25-26)19-4-2-3-5-22(19)28/h2-13,21,27-28H,14H2,1H3,(H,24,30)
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n/an/a 4.11E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246021
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-N-p-tolyl-...)
Show SMILES Cc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2O)cc1
Show InChI InChI=1S/C23H21N3O2S/c1-15-6-10-17(11-7-15)24-23(29)26-21(16-8-12-18(27)13-9-16)14-20(25-26)19-4-2-3-5-22(19)28/h2-13,21,27-28H,14H2,1H3,(H,24,29)
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n/an/a 4.61E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246017
PNG
(5-(4-hydroxyphenyl)-N,3-diphenyl-4,5-dihydro-1H-py...)
Show SMILES Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19N3OS/c26-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-25(21)22(27)23-18-9-5-2-6-10-18/h1-14,21,26H,15H2,(H,23,27)
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n/an/a 4.86E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246073
PNG
(5-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-...)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)c(OC)c2)c2ccccc2O)cc1
Show InChI InChI=1S/C24H23N3O4S/c1-30-17-10-8-16(9-11-17)25-24(32)27-20(15-7-12-22(29)23(13-15)31-2)14-19(26-27)18-5-3-4-6-21(18)28/h3-13,20,28-29H,14H2,1-2H3,(H,25,32)
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n/an/a 4.89E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246554
PNG
(3-(2-hydroxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-py...)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C22H19N3OS/c26-21-14-8-7-13-18(21)19-15-20(16-9-3-1-4-10-16)25(24-19)22(27)23-17-11-5-2-6-12-17/h1-14,20,26H,15H2,(H,23,27)
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n/an/a 4.92E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246074
PNG
(5-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccc(C)cc1)c1ccccc1O
Show InChI InChI=1S/C24H23N3O3S/c1-15-7-10-17(11-8-15)25-24(31)27-20(16-9-12-22(29)23(13-16)30-2)14-19(26-27)18-5-3-4-6-21(18)28/h3-13,20,28-29H,14H2,1-2H3,(H,25,31)
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n/an/a 5.06E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246108
PNG
(3-(2,4-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphen...)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)c(OC)c2)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C24H23N3O5S/c1-31-17-7-4-15(5-8-17)25-24(33)27-20(14-3-10-21(29)23(11-14)32-2)13-19(26-27)18-9-6-16(28)12-22(18)30/h3-12,20,28-30H,13H2,1-2H3,(H,25,33)
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n/an/a 5.34E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50245815
PNG
(3,5-bis(2-hydroxyphenyl)-N-phenyl-4,5-dihydro-1H-p...)
Show SMILES Oc1ccccc1C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O
Show InChI InChI=1S/C22H19N3O2S/c26-20-12-6-4-10-16(20)18-14-19(17-11-5-7-13-21(17)27)25(24-18)22(28)23-15-8-2-1-3-9-15/h1-13,19,26-27H,14H2,(H,23,28)
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n/an/a 5.81E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246109
PNG
(3-(2,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-N-phen...)
Show SMILES Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1O
Show InChI InChI=1S/C22H19N3O3S/c26-16-8-6-14(7-9-16)20-13-19(18-11-10-17(27)12-21(18)28)24-25(20)22(29)23-15-4-2-1-3-5-15/h1-12,20,26-28H,13H2,(H,23,29)
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n/an/a 5.86E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246075
PNG
(3-(2,4-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphen...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1O
Show InChI InChI=1S/C23H21N3O4S/c1-30-22-11-14(7-10-20(22)28)19-13-18(17-9-8-16(27)12-21(17)29)25-26(19)23(31)24-15-5-3-2-4-6-15/h2-12,19,27-29H,13H2,1H3,(H,24,31)
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n/an/a 6.56E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50245816
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-N-phenyl-4...)
Show SMILES Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O
Show InChI InChI=1S/C22H19N3O2S/c26-17-12-10-15(11-13-17)20-14-19(18-8-4-5-9-21(18)27)24-25(20)22(28)23-16-6-2-1-3-7-16/h1-13,20,26-27H,14H2,(H,23,28)
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n/an/a 6.72E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246110
PNG
(3-(2,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-N-(4-m...)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C23H21N3O4S/c1-30-18-9-4-15(5-10-18)24-23(31)26-21(14-2-6-16(27)7-3-14)13-20(25-26)19-11-8-17(28)12-22(19)29/h2-12,21,27-29H,13H2,1H3,(H,24,31)
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n/an/a 6.96E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50245817
PNG
(3-(2-hydroxyphenyl)-5-(2-methoxyphenyl)-N-phenyl-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O
Show InChI InChI=1S/C23H21N3O2S/c1-28-22-14-8-6-12-18(22)20-15-19(17-11-5-7-13-21(17)27)25-26(20)23(29)24-16-9-3-2-4-10-16/h2-14,20,27H,15H2,1H3,(H,24,29)
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n/an/a 7.42E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246111
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-N-(2-metho...)
Show SMILES COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C23H21N3O3S/c1-29-22-9-5-3-7-18(22)24-23(30)26-20(15-10-12-16(27)13-11-15)14-19(25-26)17-6-2-4-8-21(17)28/h2-13,20,27-28H,14H2,1H3,(H,24,30)
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n/an/a 1.44E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246149
PNG
(3,5-bis(2-hydroxyphenyl)-N-(2-methoxyphenyl)-4,5-d...)
Show SMILES COc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1O
Show InChI InChI=1S/C23H21N3O3S/c1-29-22-13-7-4-10-17(22)24-23(30)26-19(16-9-3-6-12-21(16)28)14-18(25-26)15-8-2-5-11-20(15)27/h2-13,19,27-28H,14H2,1H3,(H,24,30)
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n/an/a 1.44E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246151
PNG
(3-(2,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-N-(2-m...)
Show SMILES COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccc(O)cc1O
Show InChI InChI=1S/C23H21N3O4S/c1-30-22-5-3-2-4-18(22)24-23(31)26-20(14-6-8-15(27)9-7-14)13-19(25-26)17-11-10-16(28)12-21(17)29/h2-12,20,27-29H,13H2,1H3,(H,24,31)
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n/an/a 1.48E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246111
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-N-(2-metho...)
Show SMILES COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C23H21N3O3S/c1-29-22-9-5-3-7-18(22)24-23(30)26-20(15-10-12-16(27)13-11-15)14-19(25-26)17-6-2-4-8-21(17)28/h2-13,20,27-28H,14H2,1H3,(H,24,30)
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n/an/a 1.51E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246152
PNG
(3-(2,4-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphen...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1OC)c1ccc(O)cc1O
Show InChI InChI=1S/C24H23N3O5S/c1-31-22-6-4-3-5-17(22)25-24(33)27-19(14-7-10-20(29)23(11-14)32-2)13-18(26-27)16-9-8-15(28)12-21(16)30/h3-12,19,28-30H,13H2,1-2H3,(H,25,33)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246202
PNG
(3,5-bis(2-hydroxyphenyl)-N-o-tolyl-4,5-dihydro-1H-...)
Show SMILES Cc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1O
Show InChI InChI=1S/C23H21N3O2S/c1-15-8-2-5-11-18(15)24-23(29)26-20(17-10-4-7-13-22(17)28)14-19(25-26)16-9-3-6-12-21(16)27/h2-13,20,27-28H,14H2,1H3,(H,24,29)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246150
PNG
(5-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1OC)c1ccccc1O
Show InChI InChI=1S/C24H23N3O4S/c1-30-22-10-6-4-8-17(22)25-24(32)27-19(15-11-12-21(29)23(13-15)31-2)14-18(26-27)16-7-3-5-9-20(16)28/h3-13,19,28-29H,14H2,1-2H3,(H,25,32)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246149
PNG
(3,5-bis(2-hydroxyphenyl)-N-(2-methoxyphenyl)-4,5-d...)
Show SMILES COc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1O
Show InChI InChI=1S/C23H21N3O3S/c1-29-22-13-7-4-10-17(22)24-23(30)26-19(16-9-3-6-12-21(16)28)14-18(25-26)15-8-2-5-11-20(15)27/h2-13,19,27-28H,14H2,1H3,(H,24,30)
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n/an/a 1.71E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246151
PNG
(3-(2,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-N-(2-m...)
Show SMILES COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccc(O)cc1O
Show InChI InChI=1S/C23H21N3O4S/c1-30-22-5-3-2-4-18(22)24-23(31)26-20(14-6-8-15(27)9-7-14)13-19(25-26)17-11-10-16(28)12-21(17)29/h2-12,20,27-29H,13H2,1H3,(H,24,31)
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n/an/a 1.71E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246152
PNG
(3-(2,4-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphen...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1OC)c1ccc(O)cc1O
Show InChI InChI=1S/C24H23N3O5S/c1-31-22-6-4-3-5-17(22)25-24(33)27-19(14-7-10-20(29)23(11-14)32-2)13-18(26-27)16-9-8-15(28)12-21(16)30/h3-12,19,28-30H,13H2,1-2H3,(H,25,33)
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n/an/a 1.80E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246201
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-N-o-tolyl-...)
Show SMILES Cc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C23H21N3O2S/c1-15-6-2-4-8-19(15)24-23(29)26-21(16-10-12-17(27)13-11-16)14-20(25-26)18-7-3-5-9-22(18)28/h2-13,21,27-28H,14H2,1H3,(H,24,29)
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n/an/a 1.80E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246202
PNG
(3,5-bis(2-hydroxyphenyl)-N-o-tolyl-4,5-dihydro-1H-...)
Show SMILES Cc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1O
Show InChI InChI=1S/C23H21N3O2S/c1-15-8-2-5-11-18(15)24-23(29)26-20(17-10-4-7-13-22(17)28)14-19(25-26)16-9-3-6-12-21(16)27/h2-13,20,27-28H,14H2,1H3,(H,24,29)
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n/an/a 1.80E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246201
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-N-o-tolyl-...)
Show SMILES Cc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C23H21N3O2S/c1-15-6-2-4-8-19(15)24-23(29)26-21(16-10-12-17(27)13-11-16)14-20(25-26)18-7-3-5-9-22(18)28/h2-13,21,27-28H,14H2,1H3,(H,24,29)
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n/an/a 1.89E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246203
PNG
(5-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1C)c1ccccc1O
Show InChI InChI=1S/C24H23N3O3S/c1-15-7-3-5-9-18(15)25-24(31)27-20(16-11-12-22(29)23(13-16)30-2)14-19(26-27)17-8-4-6-10-21(17)28/h3-13,20,28-29H,14H2,1-2H3,(H,25,31)
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n/an/a 1.98E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246203
PNG
(5-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1C)c1ccccc1O
Show InChI InChI=1S/C24H23N3O3S/c1-15-7-3-5-9-18(15)25-24(31)27-20(16-11-12-22(29)23(13-16)30-2)14-19(26-27)17-8-4-6-10-21(17)28/h3-13,20,28-29H,14H2,1-2H3,(H,25,31)
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n/an/a 2.01E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246150
PNG
(5-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1OC)c1ccccc1O
Show InChI InChI=1S/C24H23N3O4S/c1-30-22-10-6-4-8-17(22)25-24(32)27-19(15-11-12-21(29)23(13-15)31-2)14-18(26-27)16-7-3-5-9-20(16)28/h3-13,19,28-29H,14H2,1-2H3,(H,25,32)
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n/an/a 2.01E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50245966
PNG
(3-(2-hydroxyphenyl)-N-phenyl-5-(thiophen-2-yl)-4,5...)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C20H17N3OS2/c24-18-10-5-4-9-15(18)16-13-17(19-11-6-12-26-19)23(22-16)20(25)21-14-7-2-1-3-8-14/h1-12,17,24H,13H2,(H,21,25)
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n/an/a 3.86E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
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 3.90E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50245816
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-N-phenyl-4...)
Show SMILES Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O
Show InChI InChI=1S/C22H19N3O2S/c26-17-12-10-15(11-13-17)20-14-19(18-8-4-5-9-21(18)27)24-25(20)22(28)23-16-6-2-1-3-7-16/h1-13,20,26-27H,14H2,(H,23,28)
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n/an/a 4.00E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246020
PNG
(3,5-bis(2-hydroxyphenyl)-N-p-tolyl-4,5-dihydro-1H-...)
Show SMILES Cc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2O)cc1
Show InChI InChI=1S/C23H21N3O2S/c1-15-10-12-16(13-11-15)24-23(29)26-20(18-7-3-5-9-22(18)28)14-19(25-26)17-6-2-4-8-21(17)27/h2-13,20,27-28H,14H2,1H3,(H,24,29)
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n/an/a 4.00E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50245814
PNG
(5-(4-chlorophenyl)-3-(2-hydroxyphenyl)-N-phenyl-4,...)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccc(Cl)cc1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C22H18ClN3OS/c23-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)27)25-26(20)22(28)24-17-6-2-1-3-7-17/h1-13,20,27H,14H2,(H,24,28)
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n/an/a 4.00E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246019
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-N-(4-metho...)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2O)cc1
Show InChI InChI=1S/C23H21N3O3S/c1-29-18-12-8-16(9-13-18)24-23(30)26-21(15-6-10-17(27)11-7-15)14-20(25-26)19-4-2-3-5-22(19)28/h2-13,21,27-28H,14H2,1H3,(H,24,30)
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n/an/a 4.01E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
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