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BDBM256694 US10053456, 74::US10414761, Example 74::US10968213, Example 74::US9487511, 74::US9718814, 74::US9920047, 74

SMILES: Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1

InChI Key: InChIKey=CKNUPTZKHFREPE-KGLIPLIRSA-N

Data: 21 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 256694   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a<100n/an/an/an/a8.025



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US10968213 (2021)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK. A test compound...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a<100n/an/an/an/a8.025



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...


US Patent US9718814 (2017)


BindingDB Entry DOI: 10.7270/Q21838J9
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LL...


US Patent US9718814 (2017)


BindingDB Entry DOI: 10.7270/Q21838J9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldr...


US Patent US9718814 (2017)


BindingDB Entry DOI: 10.7270/Q21838J9
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a<100n/an/an/an/a8.025



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...


US Patent US9714241 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2CZN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US9714241 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2CZN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US9714241 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2CZN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a<100n/an/an/an/a8.025



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...


US Patent US10053456 (2018)


BindingDB Entry DOI: 10.7270/Q23J3FZ4
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US10053456 (2018)


BindingDB Entry DOI: 10.7270/Q23J3FZ4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US10053456 (2018)


BindingDB Entry DOI: 10.7270/Q23J3FZ4
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Montana State University



Assay Description
A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2R213PQ
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Montana State University



Assay Description
A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LL...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2R213PQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Montana State University



Assay Description
A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldr...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2R213PQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...


US Patent US10414761 (2019)


BindingDB Entry DOI: 10.7270/Q2V98BFG
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
MAO-A: The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test co...


US Patent US10414761 (2019)


BindingDB Entry DOI: 10.7270/Q2V98BFG
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
MAO-B: The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test co...


US Patent US10414761 (2019)


BindingDB Entry DOI: 10.7270/Q2V98BFG
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...


US Patent US10968213 (2021)

More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US10968213 (2021)

More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US10414761, Example 74 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)/t13-,14+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair