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


(Homo sapiens (Human))		BDBM256704
PNG
(US9487511, 86)
Show SMILES CCn1cc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)cn1 |r|
Show InChI InChI=1S/C19H26N4O2S/c1-2-23-11-15(10-21-23)22-19(24)14-7-18(26-12-14)16-8-17(16)20-9-13-3-5-25-6-4-13/h7,10-13,16-17,20H,2-6,8-9H2,1H3,(H,22,24)/t16-,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))		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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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))		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))		BDBM256729
PNG
(US10053456, 125 | US10414761, Example 125 | US1096...)
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))		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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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))		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))		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<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))		BDBM256710
PNG
(US9487511, 92)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NC1CCN(CC1)C(=O)C1CC1 |r|
Show InChI InChI=1S/C23H31F2N3O2S/c24-23(25)7-3-16(4-8-23)27-21(29)15-11-20(31-13-15)18-12-19(18)26-17-5-9-28(10-6-17)22(30)14-1-2-14/h11,13-14,16-19,26H,1-10,12H2,(H,27,29)/t18-,19+/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))		BDBM50153591
PNG
(CHEMBL3775711 | US10053456, 99 | US10414761, Examp...)
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+/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))		BDBM50153593
PNG
(CHEMBL3775351 | US10053456, 123 | US10414761, Exam...)
Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
Show InChI InChI=1S/C17H22N4OS/c1-10-13(14-6-15(14)19-11-4-3-5-11)7-16(23-10)17(22)20-12-8-18-21(2)9-12/h7-9,11,14-15,19H,3-6H2,1-2H3,(H,20,22)/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))		BDBM256700
PNG
(US9487511, 80)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r|
Show InChI InChI=1S/C22H31F2N3OS/c23-22(24)7-3-15(4-8-22)26-21(28)14-11-20(29-13-14)18-12-19(18)25-16-5-9-27(10-6-16)17-1-2-17/h11,13,15-19,25H,1-10,12H2,(H,26,28)/t18-,19+/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))		BDBM256707
PNG
(US10053456, 89 | US10414761, Example 89 | US948751...)
Show SMILES Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)cn1 |r|
Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)/t13-,14+/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))		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<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))		BDBM256653
PNG
(US10053456, 32 | US10414761, Example 32 | US109682...)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)C1CC1NCC1CC1
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)
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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))		BDBM256654
PNG
(US10053456, 33 | US10414761, Example 33 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)C2CC2NC2CCC2)s1
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)9-5-13(21-7-9)11-6-12(11)16-10-3-2-4-10/h5,7,10-12,16H,2-4,6H2,1H3,(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))		BDBM256661
PNG
(BDBM256662 | US10053456, 41 | US10414761, Example ...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CCOCC2)s1
Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)12-6-15(24-9-12)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)
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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))		BDBM256672
PNG
(US9487511, 51)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NCC1CCOCC1 |r|
Show InChI InChI=1S/C20H28F2N2O2S/c21-20(22)5-1-15(2-6-20)24-19(25)14-9-18(27-12-14)16-10-17(16)23-11-13-3-7-26-8-4-13/h9,12-13,15-17,23H,1-8,10-11H2,(H,24,25)/t16-,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))		BDBM256686
PNG
(US10053456, 65 | US10414761, Example 65 | US109682...)
Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CC1
Show InChI InChI=1S/C19H26F2N2OS/c1-11-14(18(24)23-13-4-6-19(20,21)7-5-13)9-17(25-11)15-8-16(15)22-10-12-2-3-12/h9,12-13,15-16,22H,2-8,10H2,1H3,(H,23,24)
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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))		BDBM256691
PNG
(US10053456, 70 | US10414761, Example 70 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CCOCC2)s1
Show InChI InChI=1S/C18H24N4O2S2/c1-10-13(17(23)20-18-22-21-11(2)26-18)8-16(25-10)14-7-15(14)19-9-12-3-5-24-6-4-12/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23)
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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))		BDBM256706
PNG
(US10053456, 88 | US10414761, Example 88 | US109682...)
Show SMILES Cn1cc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)cn1 |r|
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)/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256649
PNG
(US10053456, 28 | US10414761, Example 28 | US109682...)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1cc(cs1)C1CC1NCC1CC1
Show InChI InChI=1S/C18H24F2N2OS/c19-18(20)5-3-13(4-6-18)22-17(23)16-7-12(10-24-16)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))		BDBM256655
PNG
(US10053456, 34 | US10414761, Example 34 | US109682...)
Show SMILES Cn1cc(NC(=O)c2csc(c2)C2CC2NC2CCC2)cn1
Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)10-5-15(22-9-10)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(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))		BDBM256663
PNG
(US9487511, 42)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NC1CCC1 |r|
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-4-6-21-7-5-13)11-8-16(22-10-11)14-9-15(14)18-12-2-1-3-12/h8,10,12-15,18H,1-7,9H2,(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))		BDBM256671
PNG
(US9487511, 50)
Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NC2CCOCC2)s1 |r|
Show InChI InChI=1S/C17H21N3O2S2/c1-10-18-8-16(24-10)20-17(21)11-6-15(23-9-11)13-7-14(13)19-12-2-4-22-5-3-12/h6,8-9,12-14,19H,2-5,7H2,1H3,(H,20,21)/t13-,14+/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))		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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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))		BDBM256692
PNG
(US10053456, 72 | US10414761, Example 72 | 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+/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))		BDBM256701
PNG
(US9487511, 81)
Show SMILES Cc1cc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)no1 |r|
Show InChI InChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)13-7-16(25-10-13)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)/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))		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))		BDBM256633
PNG
(US10053456, 12 | US10414761, Example 12 | US109682...)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1cc2CCOc2c(c1)C1CC1NCC1CCOCC1
Show InChI InChI=1S/C24H32F2N2O3/c25-24(26)6-1-18(2-7-24)28-23(29)17-11-16-5-10-31-22(16)20(12-17)19-13-21(19)27-14-15-3-8-30-9-4-15/h11-12,15,18-19,21,27H,1-10,13-14H2,(H,28,29)
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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))		BDBM256670
PNG
(US9487511, 49)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NC2CCOCC2)s1 |r|
Show InChI InChI=1S/C16H20N4O2S2/c1-9-19-20-16(24-9)18-15(21)10-6-14(23-8-10)12-7-13(12)17-11-2-4-22-5-3-11/h6,8,11-13,17H,2-5,7H2,1H3,(H,18,20,21)/t12-,13+/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))		BDBM256675
PNG
(US9487511, 54)
Show SMILES Cc1nn(C)cc1NC(=O)c1csc(c1)[C@H]1C[C@H]1NCC1CCOCC1 |r|
Show InChI InChI=1S/C19H26N4O2S/c1-12-17(10-23(2)22-12)21-19(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,21,24)/t15-,16+/m0/s1
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US Patent
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))		BDBM256677
PNG
(US10053456, 56 | US10414761, Example 56 | US109682...)
Show SMILES O=C(NC1CC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-1-2-13)12-7-16(22-10-12)14-8-15(14)18-9-11-3-5-21-6-4-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256679
PNG
(US10053456, 58 | US10414761, Example 58 | US109682...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CCOCC2)s1
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)
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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))		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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US Patent
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))		BDBM256724
PNG
(US10053456, 111 | US10414761, Example 111 | US1096...)
Show SMILES Nc1nnc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)o1 |r|
Show InChI InChI=1S/C17H21F2N5O2S/c18-17(19)3-1-10(2-4-17)22-15(25)9-5-13(27-8-9)11-6-12(11)21-7-14-23-24-16(20)26-14/h5,8,10-12,21H,1-4,6-7H2,(H2,20,24)(H,22,25)/t11-,12-/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256725
PNG
(US9487511, 112)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CCC1 |r|
Show InChI InChI=1S/C18H26N2O2S/c21-18(20-14-4-6-22-7-5-14)13-8-17(23-11-13)15-9-16(15)19-10-12-2-1-3-12/h8,11-12,14-16,19H,1-7,9-10H2,(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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256660
PNG
(US9487511, 39)
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+/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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))		BDBM256673
PNG
(US9487511, 52)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NCC1CCOCC1 |r|
Show InChI InChI=1S/C21H30F3N3O2S/c22-21(23,24)13-27-5-1-16(2-6-27)26-20(28)15-9-19(30-12-15)17-10-18(17)25-11-14-3-7-29-8-4-14/h9,12,14,16-18,25H,1-8,10-11,13H2,(H,26,28)/t17-,18+/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))		BDBM256645
PNG
(US10053456, 24 | US10414761, Example 24 | US109682...)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CCOCC1
Show InChI InChI=1S/C20H28F2N2O2S/c21-20(22)5-1-15(2-6-20)24-19(25)14-9-18(27-12-14)16-10-17(16)23-11-13-3-7-26-8-4-13/h9,12-13,15-17,23H,1-8,10-11H2,(H,24,25)
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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))		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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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))		BDBM256674
PNG
(US9487511, 53)
Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)s1 |r|
Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/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))		BDBM256688
PNG
(US10053456, 67 | US10414761, Example 67 | US109682...)
Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1
Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)
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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%