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PubMed code 22595173

Compile data set for download or QSAR
Found 68 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
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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1.61E+3n/an/an/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SSAO/VAP1 measuring H2O2 production by Kitz and Wilson plot analysis


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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1.64E+3n/an/an/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SSAO/VAP1 measuring H2O2 production by Kitz and Wilson plot analysis


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384098
PNG
(CHEMBL2029537)
Show SMILES NC\C=C(\F)COc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H11FN2O3/c11-8(5-6-12)7-16-10-3-1-9(2-4-10)13(14)15/h1-5H,6-7,12H2/b8-5+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Mus musculus)
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SSAO/VAP1 in mouse adipocytes measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384095
PNG
(CHEMBL2029534)
Show SMILES CSc1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C11H14FNOS/c1-15-11-4-2-10(3-5-11)14-8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 20n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384083
PNG
(CHEMBL2029545)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C16H21FN2O2/c17-13(9-10-18)11-21-15-7-5-12(6-8-15)16(20)19-14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2,(H,19,20)/b13-9+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384101
PNG
(CHEMBL2029540)
Show SMILES NC\C=C(\F)COc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C11H11F4NO/c12-9(4-5-16)7-17-10-3-1-2-8(6-10)11(13,14)15/h1-4,6H,5,7,16H2/b9-4+
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n/an/a 30n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384094
PNG
(CHEMBL2029533)
Show SMILES NC\C=C(\F)COc1cccc(Cl)c1
Show InChI InChI=1S/C10H11ClFNO/c11-8-2-1-3-10(6-8)14-7-9(12)4-5-13/h1-4,6H,5,7,13H2/b9-4+
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n/an/a 30n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384087
PNG
(CHEMBL2029549)
Show SMILES C[C@@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m1/s1
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384086
PNG
(CHEMBL2029548)
Show SMILES CC(NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+
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n/an/a 40n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384100
PNG
(CHEMBL2029539)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C11H11F4NO/c12-9(5-6-16)7-17-10-3-1-8(2-4-10)11(13,14)15/h1-5H,6-7,16H2/b9-5+
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n/an/a 40n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384088
PNG
(CHEMBL2029550)
Show SMILES C[C@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m0/s1
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384098
PNG
(CHEMBL2029537)
Show SMILES NC\C=C(\F)COc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H11FN2O3/c11-8(5-6-12)7-16-10-3-1-9(2-4-10)13(14)15/h1-5H,6-7,12H2/b8-5+
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n/an/a 70n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384097
PNG
(CHEMBL2029536)
Show SMILES NC\C=C(\F)COc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C11H11F4NO2/c12-8(5-6-16)7-17-9-1-3-10(4-2-9)18-11(13,14)15/h1-5H,6-7,16H2/b8-5+
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n/an/a 70n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384085
PNG
(CHEMBL2029547)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H19FN2O2/c19-16(10-11-20)13-23-17-8-6-15(7-9-17)18(22)21-12-14-4-2-1-3-5-14/h1-10H,11-13,20H2,(H,21,22)/b16-10+
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n/an/a 80n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384099
PNG
(CHEMBL2029538)
Show SMILES NC\C=C(\F)COc1ccc(F)c(F)c1
Show InChI InChI=1S/C10H10F3NO/c11-7(3-4-14)6-15-8-1-2-9(12)10(13)5-8/h1-3,5H,4,6,14H2/b7-3+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Mus musculus)
BDBM50384088
PNG
(CHEMBL2029550)
Show SMILES C[C@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SSAO/VAP1 in mouse adipocytes measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384100
PNG
(CHEMBL2029539)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C11H11F4NO/c12-9(5-6-16)7-17-10-3-1-8(2-4-10)11(13,14)15/h1-5H,6-7,16H2/b9-5+
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n/an/a 130n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384103
PNG
(CHEMBL2029543)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H19FN2O2/c16-13(7-8-17)11-20-14-5-3-12(4-6-14)15(19)18-9-1-2-10-18/h3-7H,1-2,8-11,17H2/b13-7+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384101
PNG
(CHEMBL2029540)
Show SMILES NC\C=C(\F)COc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C11H11F4NO/c12-9(4-5-16)7-17-10-3-1-2-8(6-10)11(13,14)15/h1-4,6H,5,7,16H2/b9-4+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Mus musculus)
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SSAO/VAP1 in mouse adipocytes measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384093
PNG
(CHEMBL2029531)
Show SMILES COc1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C11H14FNO2/c1-14-10-2-4-11(5-3-10)15-8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6+
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n/an/a 160n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384095
PNG
(CHEMBL2029534)
Show SMILES CSc1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C11H14FNOS/c1-15-11-4-2-10(3-5-11)14-8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384097
PNG
(CHEMBL2029536)
Show SMILES NC\C=C(\F)COc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C11H11F4NO2/c12-8(5-6-16)7-17-9-1-3-10(4-2-9)18-11(13,14)15/h1-5H,6-7,16H2/b8-5+
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n/an/a 180n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384089
PNG
(CHEMBL2029527)
Show SMILES NC\C=C(\F)COc1ccccc1
Show InChI InChI=1S/C10H12FNO/c11-9(6-7-12)8-13-10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6+
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n/an/a 180n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384099
PNG
(CHEMBL2029538)
Show SMILES NC\C=C(\F)COc1ccc(F)c(F)c1
Show InChI InChI=1S/C10H10F3NO/c11-7(3-4-14)6-15-8-1-2-9(12)10(13)5-8/h1-3,5H,4,6,14H2/b7-3+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384096
PNG
(CHEMBL2029535)
Show SMILES CC(C)(C)c1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C14H20FNO/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(15)8-9-16/h4-8H,9-10,16H2,1-3H3/b12-8+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384081
PNG
(CHEMBL2029532)
Show SMILES NC\C=C(\F)COc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16FNO2/c17-13(10-11-18)12-19-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-10H,11-12,18H2/b13-10+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384094
PNG
(CHEMBL2029533)
Show SMILES NC\C=C(\F)COc1cccc(Cl)c1
Show InChI InChI=1S/C10H11ClFNO/c11-8-2-1-3-10(6-8)14-7-9(12)4-5-13/h1-4,6H,5,7,13H2/b9-4+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384082
PNG
(CHEMBL2029544)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C19H21FN2O2/c1-22(13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)24-14-17(20)11-12-21/h2-11H,12-14,21H2,1H3/b17-11+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384089
PNG
(CHEMBL2029527)
Show SMILES NC\C=C(\F)COc1ccccc1
Show InChI InChI=1S/C10H12FNO/c11-9(6-7-12)8-13-10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384093
PNG
(CHEMBL2029531)
Show SMILES COc1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C11H14FNO2/c1-14-10-2-4-11(5-3-10)15-8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384080
PNG
(CHEMBL2029542)
Show SMILES CN(C)C(=O)c1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C13H17FN2O2/c1-16(2)13(17)10-3-5-12(6-4-10)18-9-11(14)7-8-15/h3-7H,8-9,15H2,1-2H3/b11-7+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384081
PNG
(CHEMBL2029532)
Show SMILES NC\C=C(\F)COc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16FNO2/c17-13(10-11-18)12-19-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-10H,11-12,18H2/b13-10+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Mus musculus)
BDBM50384083
PNG
(CHEMBL2029545)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C16H21FN2O2/c17-13(9-10-18)11-21-15-7-5-12(6-8-15)16(20)19-14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2,(H,19,20)/b13-9+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SSAO/VAP1 in mouse adipocytes measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384085
PNG
(CHEMBL2029547)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H19FN2O2/c19-16(10-11-20)13-23-17-8-6-15(7-9-17)18(22)21-12-14-4-2-1-3-5-14/h1-10H,11-13,20H2,(H,21,22)/b16-10+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384102
PNG
(CHEMBL2029541)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C11H13FN2O2/c12-9(5-6-13)7-16-10-3-1-8(2-4-10)11(14)15/h1-5H,6-7,13H2,(H2,14,15)/b9-5+
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n/an/a 1.07E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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n/an/a 1.12E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384087
PNG
(CHEMBL2029549)
Show SMILES C[C@@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m1/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384083
PNG
(CHEMBL2029545)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C16H21FN2O2/c17-13(9-10-18)11-21-15-7-5-12(6-8-15)16(20)19-14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2,(H,19,20)/b13-9+
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n/an/a 1.64E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 1.78E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384082
PNG
(CHEMBL2029544)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C19H21FN2O2/c1-22(13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)24-14-17(20)11-12-21/h2-11H,12-14,21H2,1H3/b17-11+
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n/an/a 2.21E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50384087
PNG
(CHEMBL2029549)
Show SMILES C[C@@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m1/s1
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n/an/a 2.46E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human DAO measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384086
PNG
(CHEMBL2029548)
Show SMILES CC(NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+
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n/an/a 2.98E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384096
PNG
(CHEMBL2029535)
Show SMILES CC(C)(C)c1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C14H20FNO/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(15)8-9-16/h4-8H,9-10,16H2,1-3H3/b12-8+
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n/an/a 6.40E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384088
PNG
(CHEMBL2029550)
Show SMILES C[C@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m0/s1
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n/an/a 6.43E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50384101
PNG
(CHEMBL2029540)
Show SMILES NC\C=C(\F)COc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C11H11F4NO/c12-9(4-5-16)7-17-10-3-1-2-8(6-10)11(13,14)15/h1-4,6H,5,7,16H2/b9-4+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human AOC2


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human DAO measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384103
PNG
(CHEMBL2029543)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H19FN2O2/c16-13(7-8-17)11-20-14-5-3-12(4-6-14)15(19)18-9-1-2-10-18/h3-7H,1-2,8-11,17H2/b13-7+
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n/an/a 1.10E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384080
PNG
(CHEMBL2029542)
Show SMILES CN(C)C(=O)c1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C13H17FN2O2/c1-16(2)13(17)10-3-5-12(6-4-10)18-9-11(14)7-8-15/h3-7H,8-9,15H2,1-2H3/b11-7+
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n/an/a 1.90E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384090
PNG
(CHEMBL2029528)
Show SMILES NC\C=C(/F)COc1ccccc1
Show InChI InChI=1S/C10H12FNO/c11-9(6-7-12)8-13-10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6-
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n/an/a 2.00E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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n/an/a 2.61E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human DAO measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50384096
PNG
(CHEMBL2029535)
Show SMILES CC(C)(C)c1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C14H20FNO/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(15)8-9-16/h4-8H,9-10,16H2,1-3H3/b12-8+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50384088
PNG
(CHEMBL2029550)
Show SMILES C[C@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m0/s1
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50384089
PNG
(CHEMBL2029527)
Show SMILES NC\C=C(\F)COc1ccccc1
Show InChI InChI=1S/C10H12FNO/c11-9(6-7-12)8-13-10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384102
PNG
(CHEMBL2029541)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C11H13FN2O2/c12-9(5-6-13)7-16-10-3-1-8(2-4-10)11(14)15/h1-5H,6-7,13H2,(H2,14,15)/b9-5+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50384102
PNG
(CHEMBL2029541)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C11H13FN2O2/c12-9(5-6-13)7-16-10-3-1-8(2-4-10)11(14)15/h1-5H,6-7,13H2,(H2,14,15)/b9-5+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50384083
PNG
(CHEMBL2029545)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C16H21FN2O2/c17-13(9-10-18)11-21-15-7-5-12(6-8-15)16(20)19-14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2,(H,19,20)/b13-9+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50384087
PNG
(CHEMBL2029549)
Show SMILES C[C@@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m1/s1
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50384083
PNG
(CHEMBL2029545)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C16H21FN2O2/c17-13(9-10-18)11-21-15-7-5-12(6-8-15)16(20)19-14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2,(H,19,20)/b13-9+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human DAO measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50384088
PNG
(CHEMBL2029550)
Show SMILES C[C@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m0/s1
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n/an/a 7.41E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human DAO measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384092
PNG
(CHEMBL2029530)
Show SMILES NC\C=C\COc1ccccc1
Show InChI InChI=1S/C10H13NO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-7H,8-9,11H2/b5-4+
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n/an/a 8.20E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384091
PNG
(CHEMBL2029529)
Show SMILES NC\C=C/COc1ccccc1
Show InChI InChI=1S/C10H13NO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-7H,8-9,11H2/b5-4-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%