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Patent code US9487511

Compile Data Set for Download or QSAR

Found 375 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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256622
PNG
(US10053456, 1 | US10414761, Example 1 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3N)c(C)s2)s1
Show InChI InChI=1S/C12H14N4OS2/c1-5-7(8-3-9(8)13)4-10(18-5)11(17)14-12-16-15-6(2)19-12/h4,8-9H,3,13H2,1-2H3,(H,14,16,17)
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n/an/a 1.30E+3n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256627
PNG
(US10053456, 6 | US10414761, Example 6 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c3ccccc3c2)s1
Show InChI InChI=1S/C23H26N4O2S/c1-14-26-27-23(30-14)25-22(28)17-10-16-4-2-3-5-18(16)19(11-17)20-12-21(20)24-13-15-6-8-29-9-7-15/h2-5,10-11,15,20-21,24H,6-9,12-13H2,1H3,(H,25,27,28)
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n/an/a 110n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256635
PNG
(US10053456, 14 | US10414761, Example 14 | US109682...)
Show SMILES Cc1ncc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C20H27F2N3O/c1-12-16(17-9-18(17)24-10-13-2-3-13)8-14(11-23-12)19(26)25-15-4-6-20(21,22)7-5-15/h8,11,13,15,17-18,24H,2-7,9-10H2,1H3,(H,25,26)
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n/an/a 2.40E+3n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256636
PNG
(US10053456, 15 | US10414761, Example 15 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1
Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)
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n/an/a 730n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256644
PNG
(US10053456, 23 | US10414761, Example 23 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CC2)s1
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)10-4-13(21-7-10)11-5-12(11)16-6-9-2-3-9/h4,7,9,11-12,16H,2-3,5-6H2,1H3,(H,17,19,20)
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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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256658
PNG
(US10053456, 37 | US10414761, Example 37 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2ccc(s2)C2CC2NCC2CC2)s1
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(21-8)17-14(20)13-5-4-12(22-13)10-6-11(10)16-7-9-2-3-9/h4-5,9-11,16H,2-3,6-7H2,1H3,(H,17,19,20)
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n/an/a 9.90E+4n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256666
PNG
(BDBM256667 | US9487511, 45)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r,wD:8.8,10.12,(10.15,-.4,;8.66,-.8,;8.26,-2.29,;6.78,-2.69,;5.69,-1.6,;6.08,-.11,;7.57,.29,;4.2,-1.99,;3.11,-.91,;2.02,-1.99,;1.62,-.51,;.53,.58,;-.93,.11,;-1.84,1.35,;-.93,2.6,;.53,2.12,;-3.38,1.35,;-4.15,2.69,;-4.15,.02,;-5.69,.02,;-6.78,1.11,;-8.26,.71,;-8.66,-.78,;-10.15,-1.18,;-9.75,.31,;-7.57,-1.87,;-6.08,-1.47,)|
Show InChI InChI=1S/C20H29F2N3OS/c21-20(22)7-5-15(6-8-20)25-19(26)12-9-18(27-11-12)16-10-17(16)24-14-3-1-13(23)2-4-14/h9,11,13-17,24H,1-8,10,23H2,(H,25,26)/t13?,14?,16-,17+/m0/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256683
PNG
(US10053456, 62 | US10414761, Example 62 | US109682...)
Show SMILES Cn1cc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)cn1
Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-18-20)19-16(21)15-4-11(9-22-15)13-5-14(13)17-6-10-2-3-10/h4,7-10,13-14,17H,2-3,5-6H2,1H3,(H,19,21)
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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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256702
PNG
(US10053456, 83 | US10414761, Example 83 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)s1 |r|
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-4-10(7-21-13)11-5-12(11)16-6-9-2-3-9/h4,7,9,11-12,16H,2-3,5-6H2,1H3,(H,17,19,20)/t11-,12+/m1/s1
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n/an/a 280n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM65039
PNG
(BDBM256703 | US10053456, 85 | US10414761, Example ...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-5-9(7-21-13)11-6-12(11)16-10-3-2-4-10/h5,7,10-12,16H,2-4,6H2,1H3,(H,17,19,20)/t11-,12+/m1/s1
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n/an/a 810n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256715
PNG
(US10053456, 100 | US10414761, Example 100 | US1096...)
Show SMILES Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NC3CCC3)c(C)s2)s1 |r|
Show InChI InChI=1S/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)/t12-,13+/m1/s1
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n/an/a 820n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256722
PNG
(US10053456, 109 | US10414761, Example 109 | US1096...)
Show SMILES Cc1sc(cc1[C@H]1C[C@@H]1NC1CCC1)C(=O)NC1CCOCC1 |r|
Show InChI InChI=1S/C18H26N2O2S/c1-11-14(15-9-16(15)19-12-3-2-4-12)10-17(23-11)18(21)20-13-5-7-22-8-6-13/h10,12-13,15-16,19H,2-9H2,1H3,(H,20,21)/t15-,16+/m1/s1
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n/an/a 2.30E+3n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1 |r|
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM65039
PNG
(BDBM256703 | US10053456, 85 | US10414761, Example ...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-5-9(7-21-13)11-6-12(11)16-10-3-2-4-10/h5,7,10-12,16H,2-4,6H2,1H3,(H,17,19,20)/t11-,12+/m1/s1
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n/an/a 290n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM65039
PNG
(BDBM256703 | US10053456, 85 | US10414761, Example ...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-5-9(7-21-13)11-6-12(11)16-10-3-2-4-10/h5,7,10-12,16H,2-4,6H2,1H3,(H,17,19,20)/t11-,12+/m1/s1
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n/an/a 260n/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] A


(Homo sapiens (Human))		BDBM256632
PNG
(US10053456, 11 | US10414761, Example 11 | US109682...)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1cc2CCOc2c(c1)C1CC1NCC1CC1
Show InChI InChI=1S/C22H28F2N2O2/c23-22(24)6-3-16(4-7-22)26-21(27)15-9-14-5-8-28-20(14)18(10-15)17-11-19(17)25-12-13-1-2-13/h9-10,13,16-17,19,25H,1-8,11-12H2,(H,26,27)
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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 US9487511 (2016)


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


(Homo sapiens (Human))		BDBM256636
PNG
(US10053456, 15 | US10414761, Example 15 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1
Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)
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n/an/a 8.90E+4n/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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM256640
PNG
(US10053456, 19 | US10414761, Example 19 | US109682...)
Show SMILES Cc1sc(cc1C1CC1NCC1CC1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C18H26N2O2S/c1-11-14(15-8-16(15)19-10-12-2-3-12)9-17(23-11)18(21)20-13-4-6-22-7-5-13/h9,12-13,15-16,19H,2-8,10H2,1H3,(H,20,21)
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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 US9487511 (2016)


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


(Homo sapiens (Human))		BDBM256641
PNG
(US10053456, 20 | US10414761, Example 20 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c(C)s2)s1
Show InChI InChI=1S/C18H24N4O2S2/c1-10-13(14-7-15(14)19-9-12-3-5-24-6-4-12)8-16(25-10)17(23)20-18-22-21-11(2)26-18/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23)
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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 US9487511 (2016)


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


(Homo sapiens (Human))		BDBM256644
PNG
(US10053456, 23 | US10414761, Example 23 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CC2)s1
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)10-4-13(21-7-10)11-5-12(11)16-6-9-2-3-9/h4,7,9,11-12,16H,2-3,5-6H2,1H3,(H,17,19,20)
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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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM256652
PNG
(US10053456, 31 | US10414761, Example 31 | US109682...)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NC1CCOCC1
Show InChI InChI=1S/C19H26F2N2O2S/c20-19(21)5-1-13(2-6-19)23-18(24)12-9-17(26-11-12)15-10-16(15)22-14-3-7-25-8-4-14/h9,11,13-16,22H,1-8,10H2,(H,23,24)
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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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM256666
PNG
(BDBM256667 | US9487511, 45)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r,wD:8.8,10.12,(10.15,-.4,;8.66,-.8,;8.26,-2.29,;6.78,-2.69,;5.69,-1.6,;6.08,-.11,;7.57,.29,;4.2,-1.99,;3.11,-.91,;2.02,-1.99,;1.62,-.51,;.53,.58,;-.93,.11,;-1.84,1.35,;-.93,2.6,;.53,2.12,;-3.38,1.35,;-4.15,2.69,;-4.15,.02,;-5.69,.02,;-6.78,1.11,;-8.26,.71,;-8.66,-.78,;-10.15,-1.18,;-9.75,.31,;-7.57,-1.87,;-6.08,-1.47,)|
Show InChI InChI=1S/C20H29F2N3OS/c21-20(22)7-5-15(6-8-20)25-19(26)12-9-18(27-11-12)16-10-17(16)24-14-3-1-13(23)2-4-14/h9,11,13-17,24H,1-8,10,23H2,(H,25,26)/t13?,14?,16-,17+/m0/s1
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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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM256668
PNG
(US9487511, 47)
Show SMILES FC1(F)CCC(CC1)N[C@@H]1C[C@@H]1c1cc(cs1)C(=O)NC1CCOCC1 |r|
Show InChI InChI=1S/C19H26F2N2O2S/c20-19(21)5-1-13(2-6-19)22-16-10-15(16)17-9-12(11-26-17)18(24)23-14-3-7-25-8-4-14/h9,11,13-16,22H,1-8,10H2,(H,23,24)/t15-,16+/m0/s1
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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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM256676
PNG
(US9487511, 55)
Show SMILES Cc1c(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)cnn1C |r|
Show InChI InChI=1S/C19H26N4O2S/c1-12-17(10-21-23(12)2)22-19(24)14-7-18(26-11-14)15-8-16(15)20-9-13-3-5-25-6-4-13/h7,10-11,13,15-16,20H,3-6,8-9H2,1-2H3,(H,22,24)/t15-,16+/m0/s1
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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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM256693
PNG
(US10053456, 73 | US10414761, Example 73 | US109682...)
Show SMILES O=C(NC1CCOCC1)c1cc(cs1)[C@H]1C[C@@H]1NC1CCC1 |r|
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-4-6-21-7-5-13)16-8-11(10-22-16)14-9-15(14)18-12-2-1-3-12/h8,10,12-15,18H,1-7,9H2,(H,19,20)/t14-,15+/m1/s1
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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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM65039
PNG
(BDBM256703 | US10053456, 85 | US10414761, Example ...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-5-9(7-21-13)11-6-12(11)16-10-3-2-4-10/h5,7,10-12,16H,2-4,6H2,1H3,(H,17,19,20)/t11-,12+/m1/s1
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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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM256726
PNG
(US10053456, 121 | US10414761, Example 121 | US1096...)
Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NCC1CCC1)C(=O)Nc1cnn(C)c1 |r|
Show InChI InChI=1S/C18H24N4OS/c1-11-14(15-6-16(15)19-8-12-4-3-5-12)7-17(24-11)18(23)21-13-9-20-22(2)10-13/h7,9-10,12,15-16,19H,3-6,8H2,1-2H3,(H,21,23)/t15-,16+/m0/s1
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM256630
PNG
(US10053456, 9 | US10414761, Example 9 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2N)s1
Show InChI InChI=1S/C15H16N4O2S/c1-7-18-19-15(22-7)17-14(20)9-4-8-2-3-21-13(8)11(5-9)10-6-12(10)16/h4-5,10,12H,2-3,6,16H2,1H3,(H,17,19,20)
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM256631
PNG
(US10053456, 10 | US10414761, Example 10 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2NCC2CC2)s1
Show InChI InChI=1S/C19H22N4O2S/c1-10-22-23-19(26-10)21-18(24)13-6-12-4-5-25-17(12)15(7-13)14-8-16(14)20-9-11-2-3-11/h6-7,11,14,16,20H,2-5,8-9H2,1H3,(H,21,23,24)
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM256634
PNG
(US10053456, 13 | US10414761, Example 13 | US109682...)
Show SMILES Cc1ncc(cc1C1CC1N)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C16H21F2N3O/c1-9-12(13-7-14(13)19)6-10(8-20-9)15(22)21-11-2-4-16(17,18)5-3-11/h6,8,11,13-14H,2-5,7,19H2,1H3,(H,21,22)
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM256635
PNG
(US10053456, 14 | US10414761, Example 14 | US109682...)
Show SMILES Cc1ncc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C20H27F2N3O/c1-12-16(17-9-18(17)24-10-13-2-3-13)8-14(11-23-12)19(26)25-15-4-6-20(21,22)7-5-15/h8,11,13,15,17-18,24H,2-7,9-10H2,1H3,(H,25,26)
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM256648
PNG
(US10053456, 27 | US10414761, Example 27 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)s1
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-4-10(7-21-13)11-5-12(11)16-6-9-2-3-9/h4,7,9,11-12,16H,2-3,5-6H2,1H3,(H,17,19,20)
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM256651
PNG
(US10053456, 30 | US10414761, Example 30 | US109682...)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CC1
Show InChI InChI=1S/C18H24F2N2OS/c19-18(20)5-3-13(4-6-18)22-17(23)12-7-16(24-10-12)14-8-15(14)21-9-11-1-2-11/h7,10-11,13-15,21H,1-6,8-9H2,(H,22,23)
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM256685
PNG
(US10053456, 64 | US10414761, Example 64 | US109682...)
Show SMILES O=C(NC1CCOCC1)c1cc(cs1)C1CC1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)16-7-12(10-22-16)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM256716
PNG
(US9487511, 101)
Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r|
Show InChI InChI=1S/C28H35F2N3O3S/c29-28(30)9-5-22(6-10-28)32-26(34)21-13-25(37-17-21)23-14-24(23)31-15-18-7-11-33(12-8-18)16-19-1-3-20(4-2-19)27(35)36/h1-4,13,17-18,22-24,31H,5-12,14-16H2,(H,32,34)(H,35,36)/t23-,24+/m0/s1
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1 |r|
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1 |r|
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM256695
PNG
(US10053456, 75 | US10414761, Example 75 | US109682...)
Show SMILES O=C(NC1CCOCC1)c1cc(cs1)[C@H]1C[C@@H]1NCC1CC1 |r|
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)16-7-12(10-22-16)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m1/s1
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1 |r|
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM256702
PNG
(US10053456, 83 | US10414761, Example 83 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)s1 |r|
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-4-10(7-21-13)11-5-12(11)16-6-9-2-3-9/h4,7,9,11-12,16H,2-3,5-6H2,1H3,(H,17,19,20)/t11-,12+/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 US9487511 (2016)


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


(Homo sapiens (Human))		BDBM50153590
PNG
(CHEMBL3774809 | US10053456, 97 | US10414761, Examp...)
Show SMILES Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)c(C)s2)s1 |r|
Show InChI InChI=1S/C18H24N4O2S2/c1-10-13(14-7-15(14)19-9-12-3-5-24-6-4-12)8-16(25-10)17(23)20-18-22-21-11(2)26-18/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23)/t14-,15+/m0/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 US9487511 (2016)


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


(Homo sapiens (Human))		BDBM50153592
PNG
(CHEMBL3774654 | US10053456, 102 | US10414761, Exam...)
Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)Nc1cnn(C)c1 |r|
Show InChI InChI=1S/C17H22N4OS/c1-10-13(14-5-15(14)18-7-11-3-4-11)6-16(23-10)17(22)20-12-8-19-21(2)9-12/h6,8-9,11,14-15,18H,3-5,7H2,1-2H3,(H,20,22)/t14-,15+/m0/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 US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256669
PNG
(US9487511, 48)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16+/m0/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256711
PNG
(US10053456, 93 | US10414761, Example 93 | US109682...)
Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(16-10-17(16)23-14-4-8-26-9-5-14)11-18(27-12)19(25)24-13-2-6-20(21,22)7-3-13/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)/t16-,17+/m0/s1
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n/an/a 160n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM65039
PNG
(BDBM256703 | US10053456, 85 | US10414761, Example ...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-5-9(7-21-13)11-6-12(11)16-10-3-2-4-10/h5,7,10-12,16H,2-4,6H2,1H3,(H,17,19,20)/t11-,12+/m1/s1
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n/an/a 190n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256631
PNG
(US10053456, 10 | US10414761, Example 10 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2NCC2CC2)s1
Show InChI InChI=1S/C19H22N4O2S/c1-10-22-23-19(26-10)21-18(24)13-6-12-4-5-25-17(12)15(7-13)14-8-16(14)20-9-11-2-3-11/h6-7,11,14,16,20H,2-5,8-9H2,1H3,(H,21,23,24)
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n/an/a 230n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256637
PNG
(US10053456, 16 | US10414761, Example 16 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2NCC2CCOCC2)s1
Show InChI InChI=1S/C23H26N4O2S/c1-14-26-27-23(30-14)25-22(28)20-11-17(10-16-4-2-3-5-18(16)20)19-12-21(19)24-13-15-6-8-29-9-7-15/h2-5,10-11,15,19,21,24H,6-9,12-13H2,1H3,(H,25,27,28)
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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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256642
PNG
(US10053456, 21 | US10414761, Example 21 | US109682...)
Show SMILES Cc1sc(cc1C1CC1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(16-10-17(16)23-14-4-8-26-9-5-14)11-18(27-12)19(25)24-13-2-6-20(21,22)7-3-13/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)
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n/an/a 230n/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256651
PNG
(US10053456, 30 | US10414761, Example 30 | US109682...)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CC1
Show InChI InChI=1S/C18H24F2N2OS/c19-18(20)5-3-13(4-6-18)22-17(23)12-7-16(24-10-12)14-8-15(14)21-9-11-1-2-11/h7,10-11,13-15,21H,1-6,8-9H2,(H,22,23)
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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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256659
PNG
(US9487511, 38)
Show SMILES O=C(NC1CCCC1)c1csc(c1)[C@H]1C[C@H]1NC1CCOCC1 |r|
Show InChI InChI=1S/C18H26N2O2S/c21-18(20-13-3-1-2-4-13)12-9-17(23-11-12)15-10-16(15)19-14-5-7-22-8-6-14/h9,11,13-16,19H,1-8,10H2,(H,20,21)/t15-,16+/m0/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
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* indicates data uncertainty>20%