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PubMed code 25466194

Compile data set for download or QSAR
Found 34 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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088560
PNG
(CHEMBL3577045)
Show SMILES COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-13(25)23-17-6-4-3-5-16(17)19(27)21(29)24-15-9-7-14(8-10-15)20(28)22-12-11-18(26)30-2/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,25)(H,24,29)
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n/an/a 1.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088564
PNG
(CHEMBL3577041)
Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(C)C
Show InChI InChI=1S/C23H25N3O6/c1-13(2)19(23(31)32-4)26-21(29)15-9-11-16(12-10-15)25-22(30)20(28)17-7-5-6-8-18(17)24-14(3)27/h5-13,19H,1-4H3,(H,24,27)(H,25,30)(H,26,29)/t19-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088563
PNG
(CHEMBL3577042)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C27H25N3O6/c1-17(31)28-22-11-7-6-10-21(22)24(32)26(34)29-20-14-12-19(13-15-20)25(33)30-23(27(35)36-2)16-18-8-4-3-5-9-18/h3-15,23H,16H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t23-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
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 2.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088568
PNG
(CHEMBL3577037)
Show SMILES COC(=O)CCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C14H16N2O5/c1-9(17)16-11-6-4-3-5-10(11)13(19)14(20)15-8-7-12(18)21-2/h3-6H,7-8H2,1-2H3,(H,15,20)(H,16,17)
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n/an/a 3.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088562
PNG
(CHEMBL3577043)
Show SMILES COC(=O)C(C)(C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C22H23N3O6/c1-13(26)23-17-8-6-5-7-16(17)18(27)20(29)24-15-11-9-14(10-12-15)19(28)25-22(2,3)21(30)31-4/h5-12H,1-4H3,(H,23,26)(H,24,29)(H,25,28)
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n/an/a 3.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088563
PNG
(CHEMBL3577042)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C27H25N3O6/c1-17(31)28-22-11-7-6-10-21(22)24(32)26(34)29-20-14-12-19(13-15-20)25(33)30-23(27(35)36-2)16-18-8-4-3-5-9-18/h3-15,23H,16H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t23-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088565
PNG
(CHEMBL3577040)
Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-12(21(29)30-3)22-19(27)14-8-10-15(11-9-14)24-20(28)18(26)16-6-4-5-7-17(16)23-13(2)25/h4-12H,1-3H3,(H,22,27)(H,23,25)(H,24,28)/t12-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM22787
PNG
(1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...)
Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
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n/an/a 3.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088557
PNG
(CHEMBL3577048)
Show SMILES COC(=O)C1(CCCC1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C24H25N3O6/c1-15(28)25-19-8-4-3-7-18(19)20(29)22(31)26-17-11-9-16(10-12-17)21(30)27-24(23(32)33-2)13-5-6-14-24/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,25,28)(H,26,31)(H,27,30)
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n/an/a 3.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088564
PNG
(CHEMBL3577041)
Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(C)C
Show InChI InChI=1S/C23H25N3O6/c1-13(2)19(23(31)32-4)26-21(29)15-9-11-16(12-10-15)25-22(30)20(28)17-7-5-6-8-18(17)24-14(3)27/h5-13,19H,1-4H3,(H,24,27)(H,25,30)(H,26,29)/t19-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088562
PNG
(CHEMBL3577043)
Show SMILES COC(=O)C(C)(C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C22H23N3O6/c1-13(26)23-17-8-6-5-7-16(17)18(27)20(29)24-15-11-9-14(10-12-15)19(28)25-22(2,3)21(30)31-4/h5-12H,1-4H3,(H,23,26)(H,24,29)(H,25,28)
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n/an/a 4.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088554
PNG
(CHEMBL3577036)
Show SMILES COC(=O)C[C@H](NC(=O)C(=O)c1ccccc1NC(C)=O)C(=O)OC
Show InChI InChI=1S/C16H18N2O7/c1-9(19)17-11-7-5-4-6-10(11)14(21)15(22)18-12(16(23)25-3)8-13(20)24-2/h4-7,12H,8H2,1-3H3,(H,17,19)(H,18,22)/t12-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088555
PNG
(CHEMBL3577035)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C17H22N2O5/c1-10(2)9-14(17(23)24-4)19-16(22)15(21)12-7-5-6-8-13(12)18-11(3)20/h5-8,10,14H,9H2,1-4H3,(H,18,20)(H,19,22)/t14-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088557
PNG
(CHEMBL3577048)
Show SMILES COC(=O)C1(CCCC1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C24H25N3O6/c1-15(28)25-19-8-4-3-7-18(19)20(29)22(31)26-17-11-9-16(10-12-17)21(30)27-24(23(32)33-2)13-5-6-14-24/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,25,28)(H,26,31)(H,27,30)
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n/an/a 4.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088559
PNG
(CHEMBL3577046)
Show SMILES COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C22H23N3O6/c1-14(26)24-18-7-4-3-6-17(18)20(28)22(30)25-16-11-9-15(10-12-16)21(29)23-13-5-8-19(27)31-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088560
PNG
(CHEMBL3577045)
Show SMILES COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-13(25)23-17-6-4-3-5-16(17)19(27)21(29)24-15-9-7-14(8-10-15)20(28)22-12-11-18(26)30-2/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,25)(H,24,29)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM22787
PNG
(1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...)
Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
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n/an/a 5.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088554
PNG
(CHEMBL3577036)
Show SMILES COC(=O)C[C@H](NC(=O)C(=O)c1ccccc1NC(C)=O)C(=O)OC
Show InChI InChI=1S/C16H18N2O7/c1-9(19)17-11-7-5-4-6-10(11)14(21)15(22)18-12(16(23)25-3)8-13(20)24-2/h4-7,12H,8H2,1-3H3,(H,17,19)(H,18,22)/t12-/m0/s1
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088566
PNG
(CHEMBL3577039)
Show SMILES COC(=O)CCCCCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C17H22N2O5/c1-12(20)19-14-9-6-5-8-13(14)16(22)17(23)18-11-7-3-4-10-15(21)24-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,18,23)(H,19,20)
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n/an/a 5.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088559
PNG
(CHEMBL3577046)
Show SMILES COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C22H23N3O6/c1-14(26)24-18-7-4-3-6-17(18)20(28)22(30)25-16-11-9-15(10-12-16)21(29)23-13-5-8-19(27)31-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)
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n/an/a 5.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088561
PNG
(CHEMBL3577044)
Show SMILES COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC
Show InChI InChI=1S/C23H23N3O8/c1-13(27)24-17-7-5-4-6-16(17)20(29)22(31)25-15-10-8-14(9-11-15)21(30)26-18(23(32)34-3)12-19(28)33-2/h4-11,18H,12H2,1-3H3,(H,24,27)(H,25,31)(H,26,30)/t18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088567
PNG
(CHEMBL3577038)
Show SMILES COC(=O)CCCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C15H18N2O5/c1-10(18)17-12-7-4-3-6-11(12)14(20)15(21)16-9-5-8-13(19)22-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,21)(H,17,18)
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n/an/a 6.20n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088566
PNG
(CHEMBL3577039)
Show SMILES COC(=O)CCCCCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C17H22N2O5/c1-12(20)19-14-9-6-5-8-13(14)16(22)17(23)18-11-7-3-4-10-15(21)24-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,18,23)(H,19,20)
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n/an/a 6.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088555
PNG
(CHEMBL3577035)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C17H22N2O5/c1-10(2)9-14(17(23)24-4)19-16(22)15(21)12-7-5-6-8-13(12)18-11(3)20/h5-8,10,14H,9H2,1-4H3,(H,18,20)(H,19,22)/t14-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088565
PNG
(CHEMBL3577040)
Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-12(21(29)30-3)22-19(27)14-8-10-15(11-9-14)24-20(28)18(26)16-6-4-5-7-17(16)23-13(2)25/h4-12H,1-3H3,(H,22,27)(H,23,25)(H,24,28)/t12-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088558
PNG
(CHEMBL3577047)
Show SMILES COC(=O)CCCCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C24H27N3O6/c1-16(28)26-20-9-6-5-8-19(20)22(30)24(32)27-18-13-11-17(12-14-18)23(31)25-15-7-3-4-10-21(29)33-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,25,31)(H,26,28)(H,27,32)
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n/an/a 7.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088561
PNG
(CHEMBL3577044)
Show SMILES COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC
Show InChI InChI=1S/C23H23N3O8/c1-13(27)24-17-7-5-4-6-16(17)20(29)22(31)25-15-10-8-14(9-11-15)21(30)26-18(23(32)34-3)12-19(28)33-2/h4-11,18H,12H2,1-3H3,(H,24,27)(H,25,31)(H,26,30)/t18-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088556
PNG
(CHEMBL3577034)
Show SMILES CCOC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C19H18N2O5/c1-3-26-19(25)13-8-10-14(11-9-13)21-18(24)17(23)15-6-4-5-7-16(15)20-12(2)22/h4-11H,3H2,1-2H3,(H,20,22)(H,21,24)
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n/an/a 8.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088558
PNG
(CHEMBL3577047)
Show SMILES COC(=O)CCCCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C24H27N3O6/c1-16(28)26-20-9-6-5-8-19(20)22(30)24(32)27-18-13-11-17(12-14-18)23(31)25-15-7-3-4-10-21(29)33-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,25,31)(H,26,28)(H,27,32)
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n/an/a 9.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088567
PNG
(CHEMBL3577038)
Show SMILES COC(=O)CCCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C15H18N2O5/c1-10(18)17-12-7-4-3-6-11(12)14(20)15(21)16-9-5-8-13(19)22-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,21)(H,17,18)
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n/an/a 9.5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
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 9.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088568
PNG
(CHEMBL3577037)
Show SMILES COC(=O)CCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C14H16N2O5/c1-9(17)16-11-6-4-3-5-10(11)13(19)14(20)15-8-7-12(18)21-2/h3-6H,7-8H2,1-2H3,(H,15,20)(H,16,17)
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n/an/a 9.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088556
PNG
(CHEMBL3577034)
Show SMILES CCOC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C19H18N2O5/c1-3-26-19(25)13-8-10-14(11-9-13)21-18(24)17(23)15-6-4-5-7-16(15)20-12(2)22/h4-11H,3H2,1-2H3,(H,20,22)(H,21,24)
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n/an/a 9.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%