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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'al-baghdadi' and Initial = 'ob'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50148573
PNG
((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Show SMILES O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1
Show InChI InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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n/an/a 483n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50401984
PNG
(CHEMBL2203919)
Show SMILES CC1CCN(CC1)C(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H19NO3/c1-12-6-8-17(9-7-12)16(18)5-3-13-2-4-14-15(10-13)20-11-19-14/h2-5,10,12H,6-9,11H2,1H3/b5-3+
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n/an/a 497n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50401986
PNG
(CHEMBL2203918)
Show SMILES O=C(NC1CCCCC1)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H19NO3/c18-16(17-13-4-2-1-3-5-13)9-7-12-6-8-14-15(10-12)20-11-19-14/h6-10,13H,1-5,11H2,(H,17,18)/b9-7+
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n/an/a 666n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50401981
PNG
(CHEMBL1575961)
Show SMILES O=C(NC1CCCC1)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C15H17NO3/c17-15(16-12-3-1-2-4-12)8-6-11-5-7-13-14(9-11)19-10-18-13/h5-9,12H,1-4,10H2,(H,16,17)/b8-6+
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n/an/a 1.13E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50401982
PNG
(CHEMBL1712955)
Show SMILES O=C(CN1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C14H17NO3/c16-12(9-15-6-2-1-3-7-15)11-4-5-13-14(8-11)18-10-17-13/h4-5,8H,1-3,6-7,9-10H2
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n/an/a 3.18E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM89881
PNG
(1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propa...)
Show SMILES O=C(CCN1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C15H19NO3/c17-13(6-9-16-7-2-1-3-8-16)12-4-5-14-15(10-12)19-11-18-14/h4-5,10H,1-3,6-9,11H2
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n/an/a 3.43E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50401983
PNG
(CHEMBL2203920)
Show SMILES O=C(\C=C\c1ccc2OCOc2c1)N1CCCC1
Show InChI InChI=1S/C14H15NO3/c16-14(15-7-1-2-8-15)6-4-11-3-5-12-13(9-11)18-10-17-12/h3-6,9H,1-2,7-8,10H2/b6-4+
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n/an/a 4.89E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50401985
PNG
(CHEMBL118703)
Show SMILES O=C(\C=C\c1ccc2OCOc2c1)N1CCOCC1
Show InChI InChI=1S/C14H15NO4/c16-14(15-5-7-17-8-6-15)4-2-11-1-3-12-13(9-11)19-10-18-12/h1-4,9H,5-8,10H2/b4-2+
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n/an/a 6.39E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50401987
PNG
(CHEMBL1492484)
Show SMILES S=C(N1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C13H15NO2S/c17-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)16-9-15-11/h4-5,8H,1-3,6-7,9H2
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n/an/a 1.54E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50148573
PNG
((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Show SMILES O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1
Show InChI InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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n/an/a 5.90E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50401986
PNG
(CHEMBL2203918)
Show SMILES O=C(NC1CCCCC1)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H19NO3/c18-16(17-13-4-2-1-3-5-13)9-7-12-6-8-14-15(10-12)20-11-19-14/h6-10,13H,1-5,11H2,(H,17,18)/b9-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50401985
PNG
(CHEMBL118703)
Show SMILES O=C(\C=C\c1ccc2OCOc2c1)N1CCOCC1
Show InChI InChI=1S/C14H15NO4/c16-14(15-5-7-17-8-6-15)4-2-11-1-3-12-13(9-11)19-10-18-12/h1-4,9H,5-8,10H2/b4-2+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50401984
PNG
(CHEMBL2203919)
Show SMILES CC1CCN(CC1)C(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H19NO3/c1-12-6-8-17(9-7-12)16(18)5-3-13-2-4-14-15(10-13)20-11-19-14/h2-5,10,12H,6-9,11H2,1H3/b5-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50401983
PNG
(CHEMBL2203920)
Show SMILES O=C(\C=C\c1ccc2OCOc2c1)N1CCCC1
Show InChI InChI=1S/C14H15NO3/c16-14(15-7-1-2-8-15)6-4-11-3-5-12-13(9-11)18-10-17-12/h3-6,9H,1-2,7-8,10H2/b6-4+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50401982
PNG
(CHEMBL1712955)
Show SMILES O=C(CN1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C14H17NO3/c16-12(9-15-6-2-1-3-7-15)11-4-5-13-14(8-11)18-10-17-13/h4-5,8H,1-3,6-7,9-10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM89881
PNG
(1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propa...)
Show SMILES O=C(CCN1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C15H19NO3/c17-13(6-9-16-7-2-1-3-8-16)12-4-5-14-15(10-12)19-11-18-14/h4-5,10H,1-3,6-9,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50401981
PNG
(CHEMBL1575961)
Show SMILES O=C(NC1CCCC1)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C15H17NO3/c17-15(16-12-3-1-2-4-12)8-6-11-5-7-13-14(9-11)19-10-18-13/h5-9,12H,1-4,10H2,(H,16,17)/b8-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50401980
PNG
(CHEMBL2203921)
Show SMILES O=C(N1CCCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C14H17NO3/c16-14(15-7-3-1-2-4-8-15)11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,1-4,7-8,10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50401987
PNG
(CHEMBL1492484)
Show SMILES S=C(N1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C13H15NO2S/c17-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)16-9-15-11/h4-5,8H,1-3,6-7,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50401980
PNG
(CHEMBL2203921)
Show SMILES O=C(N1CCCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C14H17NO3/c16-14(15-7-3-1-2-4-8-15)11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,1-4,7-8,10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7183-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.056
BindingDB Entry DOI: 10.7270/Q29W0GNP
More data for this
Ligand-Target Pair