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Compile Data Set for Download or QSAR

Found 176 hits Enz. Inhib. hit(s) with all data for entry = 9269   
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))
BDBM454334
PNG
(US10717734, Compound 10)
Show SMILES Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C20H22FN3O2S/c1-14-18(12-15-5-7-17(8-6-15)27(2,25)26)20-19(4-3-11-23-20)24(14)13-16(21)9-10-22/h3-9,11H,10,12-13,22H2,1-2H3/b16-9-
PDB
MMDB

KEGG

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454334
PNG
(US10717734, Compound 10)
Show SMILES Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C20H22FN3O2S/c1-14-18(12-15-5-7-17(8-6-15)27(2,25)26)20-19(4-3-11-23-20)24(14)13-16(21)9-10-22/h3-9,11H,10,12-13,22H2,1-2H3/b16-9-
PDB

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454335
PNG
(US10717734, Compound 11)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cc(C)cnc23)cc1
Show InChI InChI=1S/C22H27FN4O2S/c1-15-11-21-22(25-13-15)20(16(2)27(21)14-18(23)9-10-24)12-17-5-7-19(8-6-17)30(28,29)26(3)4/h5-9,11,13H,10,12,14,24H2,1-4H3/b18-9-
PDB
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454335
PNG
(US10717734, Compound 11)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cc(C)cnc23)cc1
Show InChI InChI=1S/C22H27FN4O2S/c1-15-11-21-22(25-13-15)20(16(2)27(21)14-18(23)9-10-24)12-17-5-7-19(8-6-17)30(28,29)26(3)4/h5-9,11,13H,10,12,14,24H2,1-4H3/b18-9-
PDB

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454336
PNG
(US10717734, Compound 12)
Show SMILES Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C21H24FN3O2S/c1-14-4-9-20-21(24-14)19(15(2)25(20)13-17(22)10-11-23)12-16-5-7-18(8-6-16)28(3,26)27/h4-10H,11-13,23H2,1-3H3/b17-10-
PDB
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454336
PNG
(US10717734, Compound 12)
Show SMILES Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C21H24FN3O2S/c1-14-4-9-20-21(24-14)19(15(2)25(20)13-17(22)10-11-23)12-16-5-7-18(8-6-16)28(3,26)27/h4-10H,11-13,23H2,1-3H3/b17-10-
PDB

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454337
PNG
(US10717734, Compound 13)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C20H23FN4O2S/c1-13-4-6-18-20(24-13)17(14(2)25(18)12-16(21)8-9-22)10-15-5-7-19(23-11-15)28(3,26)27/h4-8,11H,9-10,12,22H2,1-3H3/b16-8-
PDB
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454337
PNG
(US10717734, Compound 13)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C20H23FN4O2S/c1-13-4-6-18-20(24-13)17(14(2)25(18)12-16(21)8-9-22)10-15-5-7-19(23-11-15)28(3,26)27/h4-8,11H,9-10,12,22H2,1-3H3/b16-8-
PDB

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454338
PNG
(US10717734, Compound 14)
Show SMILES Cc1c(Cc2ccc(cn2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C20H23FN4O2S/c1-13-4-7-19-20(24-13)18(14(2)25(19)12-15(21)8-9-22)10-16-5-6-17(11-23-16)28(3,26)27/h4-8,11H,9-10,12,22H2,1-3H3/b15-8-
PDB
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454338
PNG
(US10717734, Compound 14)
Show SMILES Cc1c(Cc2ccc(cn2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C20H23FN4O2S/c1-13-4-7-19-20(24-13)18(14(2)25(19)12-15(21)8-9-22)10-16-5-6-17(11-23-16)28(3,26)27/h4-8,11H,9-10,12,22H2,1-3H3/b15-8-
PDB

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454339
PNG
(US10717734, Compound 15)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)nc1
Show InChI InChI=1S/C21H26FN5O2S/c1-14-5-8-20-21(25-14)19(15(2)27(20)13-16(22)9-10-23)11-17-6-7-18(12-24-17)30(28,29)26(3)4/h5-9,12H,10-11,13,23H2,1-4H3/b16-9-
PDB
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454339
PNG
(US10717734, Compound 15)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)nc1
Show InChI InChI=1S/C21H26FN5O2S/c1-14-5-8-20-21(25-14)19(15(2)27(20)13-16(22)9-10-23)11-17-6-7-18(12-24-17)30(28,29)26(3)4/h5-9,12H,10-11,13,23H2,1-4H3/b16-9-
PDB

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454340
PNG
(US10717734, Compound 16)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)cn1
Show InChI InChI=1S/C21H26FN5O2S/c1-14-5-7-19-21(25-14)18(15(2)27(19)13-17(22)9-10-23)11-16-6-8-20(24-12-16)30(28,29)26(3)4/h5-9,12H,10-11,13,23H2,1-4H3/b17-9-
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454340
PNG
(US10717734, Compound 16)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)cn1
Show InChI InChI=1S/C21H26FN5O2S/c1-14-5-7-19-21(25-14)18(15(2)27(19)13-17(22)9-10-23)11-16-6-8-20(24-12-16)30(28,29)26(3)4/h5-9,12H,10-11,13,23H2,1-4H3/b17-9-
PDB

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454341
PNG
(US10717734, Compound 17)
Show SMILES Cc1c(Cc2cccc(c2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C21H24FN3O2S/c1-14-7-8-20-21(24-14)19(15(2)25(20)13-17(22)9-10-23)12-16-5-4-6-18(11-16)28(3,26)27/h4-9,11H,10,12-13,23H2,1-3H3/b17-9-
PDB
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454341
PNG
(US10717734, Compound 17)
Show SMILES Cc1c(Cc2cccc(c2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C21H24FN3O2S/c1-14-7-8-20-21(24-14)19(15(2)25(20)13-17(22)9-10-23)12-16-5-4-6-18(11-16)28(3,26)27/h4-9,11H,10,12-13,23H2,1-3H3/b17-9-
PDB

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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454342
PNG
(US10717734, Compound 18)
Show SMILES CN(C)S(=O)(=O)c1cccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)c1
Show InChI InChI=1S/C22H27FN4O2S/c1-15-8-9-21-22(25-15)20(16(2)27(21)14-18(23)10-11-24)13-17-6-5-7-19(12-17)30(28,29)26(3)4/h5-10,12H,11,13-14,24H2,1-4H3/b18-10-
PDB
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454342
PNG
(US10717734, Compound 18)
Show SMILES CN(C)S(=O)(=O)c1cccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)c1
Show InChI InChI=1S/C22H27FN4O2S/c1-15-8-9-21-22(25-15)20(16(2)27(21)14-18(23)10-11-24)13-17-6-5-7-19(12-17)30(28,29)26(3)4/h5-10,12H,11,13-14,24H2,1-4H3/b18-10-
PDB

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454343
PNG
(US10717734, Compound 19)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cc(C)c(O)nc23)cc1
Show InChI InChI=1S/C22H27FN4O3S/c1-14-11-20-21(25-22(14)28)19(15(2)27(20)13-17(23)9-10-24)12-16-5-7-18(8-6-16)31(29,30)26(3)4/h5-9,11H,10,12-13,24H2,1-4H3,(H,25,28)/b17-9-
PDB
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454343
PNG
(US10717734, Compound 19)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cc(C)c(O)nc23)cc1
Show InChI InChI=1S/C22H27FN4O3S/c1-14-11-20-21(25-22(14)28)19(15(2)27(20)13-17(23)9-10-24)12-16-5-7-18(8-6-16)31(29,30)26(3)4/h5-9,11H,10,12-13,24H2,1-4H3,(H,25,28)/b17-9-
PDB

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454344
PNG
(US10717734, Compound 20)
Show SMILES Cc1c(Cc2ccc(cc2Cl)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C20H21ClFN3O2S/c1-13-17(10-14-5-6-16(11-18(14)21)28(2,26)27)20-19(4-3-9-24-20)25(13)12-15(22)7-8-23/h3-7,9,11H,8,10,12,23H2,1-2H3/b15-7-
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454344
PNG
(US10717734, Compound 20)
Show SMILES Cc1c(Cc2ccc(cc2Cl)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C20H21ClFN3O2S/c1-13-17(10-14-5-6-16(11-18(14)21)28(2,26)27)20-19(4-3-9-24-20)25(13)12-15(22)7-8-23/h3-7,9,11H,8,10,12,23H2,1-2H3/b15-7-
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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454345
PNG
(US10717734, Compound 21)
Show SMILES C\C=C(/F)Cn1c(C)c(Oc2ccc(cc2)S(=O)(=O)N(C)C)c2ccccc12
Show InChI InChI=1S/C21H23FN2O3S/c1-5-16(22)14-24-15(2)21(19-8-6-7-9-20(19)24)27-17-10-12-18(13-11-17)28(25,26)23(3)4/h5-13H,14H2,1-4H3/b16-5-
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454345
PNG
(US10717734, Compound 21)
Show SMILES C\C=C(/F)Cn1c(C)c(Oc2ccc(cc2)S(=O)(=O)N(C)C)c2ccccc12
Show InChI InChI=1S/C21H23FN2O3S/c1-5-16(22)14-24-15(2)21(19-8-6-7-9-20(19)24)27-17-10-12-18(13-11-17)28(25,26)23(3)4/h5-13H,14H2,1-4H3/b16-5-
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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454348
PNG
(US10717734, Compound 24)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cc(F)cnc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-19(10-15-4-6-18(7-5-15)30(28,29)26(2)3)21-20(11-17(23)12-25-21)27(14)13-16(22)8-9-24/h4-8,11-12H,9-10,13,24H2,1-3H3/b16-8-
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454348
PNG
(US10717734, Compound 24)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cc(F)cnc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-19(10-15-4-6-18(7-5-15)30(28,29)26(2)3)21-20(11-17(23)12-25-21)27(14)13-16(22)8-9-24/h4-8,11-12H,9-10,13,24H2,1-3H3/b16-8-
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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454349
PNG
(US10717734, Compound 25)
Show SMILES CC(C)(O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C22H26FN3O3S/c1-22(2,27)21-18(13-15-6-8-17(9-7-15)30(3,28)29)20-19(5-4-12-25-20)26(21)14-16(23)10-11-24/h4-10,12,27H,11,13-14,24H2,1-3H3/b16-10-
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454349
PNG
(US10717734, Compound 25)
Show SMILES CC(C)(O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C22H26FN3O3S/c1-22(2,27)21-18(13-15-6-8-17(9-7-15)30(3,28)29)20-19(5-4-12-25-20)26(21)14-16(23)10-11-24/h4-10,12,27H,11,13-14,24H2,1-3H3/b16-10-
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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454350
PNG
(US10717734, Compound 26)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccccc23)cc1
Show InChI InChI=1S/C22H26FN3O2S/c1-16-21(14-17-8-10-19(11-9-17)29(27,28)25(2)3)20-6-4-5-7-22(20)26(16)15-18(23)12-13-24/h4-12H,13-15,24H2,1-3H3/b18-12-
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454350
PNG
(US10717734, Compound 26)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccccc23)cc1
Show InChI InChI=1S/C22H26FN3O2S/c1-16-21(14-17-8-10-19(11-9-17)29(27,28)25(2)3)20-6-4-5-7-22(20)26(16)15-18(23)12-13-24/h4-12H,13-15,24H2,1-3H3/b18-12-
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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454351
PNG
(US10717734, Compound 27)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C1CC1
Show InChI InChI=1S/C22H25FN4O2S/c1-14-18(11-15-3-8-21(25-12-15)30(2,28)29)22-20(27(14)13-17(23)9-10-24)7-6-19(26-22)16-4-5-16/h3,6-9,12,16H,4-5,10-11,13,24H2,1-2H3/b17-9-
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454351
PNG
(US10717734, Compound 27)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C1CC1
Show InChI InChI=1S/C22H25FN4O2S/c1-14-18(11-15-3-8-21(25-12-15)30(2,28)29)22-20(27(14)13-17(23)9-10-24)7-6-19(26-22)16-4-5-16/h3,6-9,12,16H,4-5,10-11,13,24H2,1-2H3/b17-9-
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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454352
PNG
(US10717734, Compound 28)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(nc23)C(C)(C)O)cc1
Show InChI InChI=1S/C24H31FN4O3S/c1-16-20(14-17-6-8-19(9-7-17)33(31,32)28(4)5)23-21(29(16)15-18(25)12-13-26)10-11-22(27-23)24(2,3)30/h6-12,30H,13-15,26H2,1-5H3/b18-12-
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454352
PNG
(US10717734, Compound 28)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(nc23)C(C)(C)O)cc1
Show InChI InChI=1S/C24H31FN4O3S/c1-16-20(14-17-6-8-19(9-7-17)33(31,32)28(4)5)23-21(29(16)15-18(25)12-13-26)10-11-22(27-23)24(2,3)30/h6-12,30H,13-15,26H2,1-5H3/b18-12-
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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454353
PNG
(US10717734, Compound 29)
Show SMILES CC(O)c1c(Cc2ccc(cc2)S(=O)(=O)N(C)C)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C22H27FN4O3S/c1-15(28)22-19(13-16-6-8-18(9-7-16)31(29,30)26(2)3)21-20(5-4-12-25-21)27(22)14-17(23)10-11-24/h4-10,12,15,28H,11,13-14,24H2,1-3H3/b17-10-
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Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454353
PNG
(US10717734, Compound 29)
Show SMILES CC(O)c1c(Cc2ccc(cc2)S(=O)(=O)N(C)C)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C22H27FN4O3S/c1-15(28)22-19(13-16-6-8-18(9-7-16)31(29,30)26(2)3)21-20(5-4-12-25-21)27(22)14-17(23)10-11-24/h4-10,12,15,28H,11,13-14,24H2,1-3H3/b17-10-
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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454354
PNG
(US10717734, Compound 30)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(C)(F)F
Show InChI InChI=1S/C21H23F3N4O2S/c1-13-16(10-14-4-7-19(26-11-14)31(3,29)30)20-17(28(13)12-15(22)8-9-25)5-6-18(27-20)21(2,23)24/h4-8,11H,9-10,12,25H2,1-3H3/b15-8-
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454354
PNG
(US10717734, Compound 30)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(C)(F)F
Show InChI InChI=1S/C21H23F3N4O2S/c1-13-16(10-14-4-7-19(26-11-14)31(3,29)30)20-17(28(13)12-15(22)8-9-25)5-6-18(27-20)21(2,23)24/h4-8,11H,9-10,12,25H2,1-3H3/b15-8-
PDB

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Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454355
PNG
(US10717734, Compound 31)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(F)(F)F
Show InChI InChI=1S/C20H20F4N4O2S/c1-12-15(9-13-3-6-18(26-10-13)31(2,29)30)19-16(28(12)11-14(21)7-8-25)4-5-17(27-19)20(22,23)24/h3-7,10H,8-9,11,25H2,1-2H3/b14-7-
PDB
MMDB

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US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454355
PNG
(US10717734, Compound 31)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(F)(F)F
Show InChI InChI=1S/C20H20F4N4O2S/c1-12-15(9-13-3-6-18(26-10-13)31(2,29)30)19-16(28(12)11-14(21)7-8-25)4-5-17(27-19)20(22,23)24/h3-7,10H,8-9,11,25H2,1-2H3/b14-7-
PDB

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US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454356
PNG
(US10717734, Compound 32)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccncc23)cc1
Show InChI InChI=1S/C21H25FN4O2S/c1-15-19(12-16-4-6-18(7-5-16)29(27,28)25(2)3)20-13-24-11-9-21(20)26(15)14-17(22)8-10-23/h4-9,11,13H,10,12,14,23H2,1-3H3/b17-8-
PDB
MMDB

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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454356
PNG
(US10717734, Compound 32)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccncc23)cc1
Show InChI InChI=1S/C21H25FN4O2S/c1-15-19(12-16-4-6-18(7-5-16)29(27,28)25(2)3)20-13-24-11-9-21(20)26(15)14-17(22)8-10-23/h4-9,11,13H,10,12,14,23H2,1-3H3/b17-8-
PDB

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PC sid
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454357
PNG
(US10717734, Compound 33)
Show SMILES CC(C)c1c(Cc2ccc(cc2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C22H26FN3O2S/c1-15(2)22-19(13-16-6-8-18(9-7-16)29(3,27)28)21-20(5-4-12-25-21)26(22)14-17(23)10-11-24/h4-10,12,15H,11,13-14,24H2,1-3H3/b17-10-
PDB
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454357
PNG
(US10717734, Compound 33)
Show SMILES CC(C)c1c(Cc2ccc(cc2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C22H26FN3O2S/c1-15(2)22-19(13-16-6-8-18(9-7-16)29(3,27)28)21-20(5-4-12-25-21)26(22)14-17(23)10-11-24/h4-10,12,15H,11,13-14,24H2,1-3H3/b17-10-
PDB

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antibodypedia
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PC sid
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US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454358
PNG
(US10717734, Compound 34)
Show SMILES Cc1c(Cc2ccc(cc2C)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C21H24FN3O2S/c1-14-11-18(28(3,26)27)7-6-16(14)12-19-15(2)25(13-17(22)8-9-23)20-5-4-10-24-21(19)20/h4-8,10-11H,9,12-13,23H2,1-3H3/b17-8-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454358
PNG
(US10717734, Compound 34)
Show SMILES Cc1c(Cc2ccc(cc2C)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Show InChI InChI=1S/C21H24FN3O2S/c1-14-11-18(28(3,26)27)7-6-16(14)12-19-15(2)25(13-17(22)8-9-23)20-5-4-10-24-21(19)20/h4-8,10-11H,9,12-13,23H2,1-3H3/b17-8-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
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