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Patent code US10053456

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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256644
PNG
(US10053456, 23 | US9487511, 23 | US9718814, 23)
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
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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256645
PNG
(US10053456, 24 | US9487511, 24 | US9718814, 24)
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256649
PNG
(US10053456, 28 | US9487511, 28 | US9718814, 28)
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256655
PNG
(US10053456, 34 | US9487511, 34 | US9718814, 34)
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256661
PNG
(BDBM256662 | US10053456, 41 | US9487511, 40 | US97...)
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243410
PNG
(N-(4,4- difluorocyclohexyl)- 5-((1R,2R)-2- (tetrah...)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCOCC1
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)/t15-,16-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243414
PNG
(5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256687
PNG
(US10053456, 66 | US9487511, 66 | US9718814, 66)
Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CCOCC1
Show InChI InChI=1S/C21H30F2N2O2S/c1-13-16(20(26)25-15-2-6-21(22,23)7-3-15)11-19(28-13)17-10-18(17)24-12-14-4-8-27-9-5-14/h11,14-15,17-18,24H,2-10,12H2,1H3,(H,25,26)
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256707
PNG
(US10053456, 89 | US9487511, 89 | US9718814, 89)
Show SMILES Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)cn1
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256729
PNG
(US10053456, 125 | US9487511, 125 | US9718814, 125)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@@H]1NCC1CC1
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
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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243415
PNG
(N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2-...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243427
PNG
(4-(trans-2- (cyclobutylamino)- cyclopropyl)-N-(1- ...)
Show SMILES Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1
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)
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256690
PNG
(US10053456, 69 | US9487511, 69 | US9718814, 69)
Show SMILES Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CC2)s1
Show InChI InChI=1S/C16H20N4OS2/c1-8-11(15(21)18-16-20-19-9(2)23-16)6-14(22-8)12-5-13(12)17-7-10-3-4-10/h6,10,12-13,17H,3-5,7H2,1-2H3,(H,18,20,21)
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256694
PNG
(US10053456, 74 | US9487511, 74 | US9718814, 74)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)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)/t13-,14+/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM244006
PNG
(5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...)
Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM244007
PNG
(5-((1R,2R)-2-((1- (cyclopropyl- carbonyl)piperidin...)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C(=O)C1CC1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256724
PNG
(US10053456, 111 | US9487511, 111 | US9718814, 111)
Show SMILES Nc1nnc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)o1
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256641
PNG
(US10053456, 20 | US9487511, 20 | US9718814, 20)
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243404
PNG
(N-cyclopentyl-5- ((1R,2R)-2- (tetrahydro-2H- pyran...)
Show SMILES O=C(NC1CCCC1)c1csc(c1)C1CC1NC1CCOCC1
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)
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n/an/a<100n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243417
PNG
(N-(4,4- difluorocyclohexyl)- 5-((1R,2R)-2- ((tetra...)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1
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-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243421
PNG
(N-(1,5-dimethyl-1H- pyrazol-4-yl)-5- ((1R,2R)-2- (...)
Show SMILES Cc1c(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)cnn1C
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-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256683
PNG
(US10053456, 62 | US9487511, 62 | US9718814, 62)
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/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256723
PNG
(US10053456, 110 | US9487511, 110 | US9718814, 110)
Show SMILES OC(=O)c1ccc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)cc1
Show InChI InChI=1S/C22H24F2N2O3S/c23-22(24)7-5-16(6-8-22)26-20(27)15-9-19(30-12-15)17-10-18(17)25-11-13-1-3-14(4-2-13)21(28)29/h1-4,9,12,16-18,25H,5-8,10-11H2,(H,26,27)(H,28,29)/t17-,18-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM244027
PNG
(5-((1R,2R)-2- ((cyclobutylmethyl)- amino)cycloprop...)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCC1
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-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256637
PNG
(US10053456, 16 | US9487511, 16 | US9718814, 16)
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/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243408
PNG
(5-((1R,2R)-2- (cyclobutylamino)- cyclopropyl)-N- (...)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)C1CC1NC1CCC1
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)
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n/an/a<100n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243426
PNG
(3-(4-((((1R,2R)-2- (4-((5-methyl-1,3,4- thiadiazol...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCN(CCC(O)=O)CC2)s1
Show InChI InChI=1S/C20H27N5O3S2/c1-12-23-24-20(30-12)22-19(28)14-8-17(29-11-14)15-9-16(15)21-10-13-2-5-25(6-3-13)7-4-18(26)27/h8,11,13,15-16,21H,2-7,9-10H2,1H3,(H,26,27)(H,22,24,28)/t15-,16-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50153586
PNG
(CHEMBL3775474 | US10053456, 120 | US9718814, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256692
PNG
(US10053456, 72 | US9487511, 72 | US9718814, 72)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)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)/t13-,14+/m0/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50153593
PNG
(CHEMBL3775351 | US10053456, 123 | US9487511, 123 |...)
Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256651
PNG
(US10053456, 30 | US9487511, 30 | US9718814, 30)
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
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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256654
PNG
(US10053456, 33 | US9487511, 33 | US9718814, 33)
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243404
PNG
(N-cyclopentyl-5- ((1R,2R)-2- (tetrahydro-2H- pyran...)
Show SMILES O=C(NC1CCCC1)c1csc(c1)C1CC1NC1CCOCC1
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)
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243418
PNG
(5-((1R,2R)-2- ((tetrahydro-2H- pyran-4-ylmethyl)- ...)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243419
PNG
(N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...)
Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256679
PNG
(US10053456, 58 | US9487511, 58 | US9718814, 58)
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243996
PNG
(N-(5-methyl-1,2- oxazol-3-yl)-5- ((1R,2R)-2- ((tet...)
Show SMILES Cc1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)no1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256706
PNG
(US10053456, 88 | US9487511, 88 | US9718814, 88)
Show SMILES Cn1cc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)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)/t13-,14+/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50153590
PNG
(CHEMBL3774809 | US10053456, 97 | US9487511, 97 | U...)
Show SMILES Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)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)/t14-,15+/m0/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM244016
PNG
(4-((4-((((1R,2R)-2- (4-((4,4-difluoro- cyclohexyl)...)
Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50153593
PNG
(CHEMBL3775351 | US10053456, 123 | US9487511, 123 |...)
Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1
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/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50153586
PNG
(CHEMBL3775474 | US10053456, 120 | US9718814, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1
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-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50153586
PNG
(CHEMBL3775474 | US10053456, 120 | US9718814, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1
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-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50153586
PNG
(CHEMBL3775474 | US10053456, 120 | US9718814, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256633
PNG
(US10053456, 12 | US9487511, 12 | US9718814, 12)
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/an/an/a



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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243411
PNG
(5-((1R,2R)-2-(cis- (4-aminocyclohexyl)- amino)cycl...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243413
PNG
(5-((1R,2R)-2-((4,4- difluorocyclohexyl)- amino)cyc...)
Show SMILES FC1(F)CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCOCC1
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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256677
PNG
(US10053456, 56 | US9487511, 56 | US9718814, 56)
Show SMILES O=C(NC1CC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1
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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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256680
PNG
(US10053456, 59 | US9487511, 59 | US9718814, 59)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)C2CC2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)17-8-12(10-26-17)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)
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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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256686
PNG
(US10053456, 65 | US9487511, 65 | US9718814, 65)
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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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)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%