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Patent code US9751885

Compile Data Set for Download or QSAR

Found 801 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))
BDBM338768
PNG
(N-(1-(cyclopropyl- methyl)-1H-pyrazol-4- yl)-3-(tr...)
Show SMILES FC(F)(F)CN1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
Show InChI InChI=1S/C24H30F3N5O/c25-24(26,27)15-31-8-6-19(7-9-31)29-22-11-21(22)17-2-1-3-18(10-17)23(33)30-20-12-28-32(14-20)13-16-4-5-16/h1-3,10,12,14,16,19,21-22,29H,4-9,11,13,15H2,(H,30,33)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338772
PNG
(N-(4-fluorophenyl)-3- (trans-2-(tetrahydro- 2H-pyr...)
Show SMILES Fc1ccc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)cc1
Show InChI InChI=1S/C21H23FN2O2/c22-16-4-6-17(7-5-16)24-21(25)15-3-1-2-14(12-15)19-13-20(19)23-18-8-10-26-11-9-18/h1-7,12,18-20,23H,8-11,13H2,(H,24,25)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338643
PNG
(3-(trans-2-((cyclo- propylmethyl)amino)- cycloprop...)
Show SMILES O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NCC1CC1
Show InChI InChI=1S/C21H26N4O/c26-21(24-18-11-23-25(13-18)12-15-6-7-15)17-3-1-2-16(8-17)19-9-20(19)22-10-14-4-5-14/h1-3,8,11,13-15,19-20,22H,4-7,9-10,12H2,(H,24,26)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338646
PNG
(3-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES CN(C(=O)c1cccc(c1)C1CC1NCC1CC1)c1ccccc1
Show InChI InChI=1S/C21H24N2O/c1-23(18-8-3-2-4-9-18)21(24)17-7-5-6-16(12-17)19-13-20(19)22-14-15-10-11-15/h2-9,12,15,19-20,22H,10-11,13-14H2,1H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338652
PNG
(N-(1-ethyl-1H-pyrazol-4-yl)- 3-(trans-2-((tetrahyd...)
Show SMILES CCn1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)cn1
Show InChI InChI=1S/C21H28N4O2/c1-2-25-14-18(13-23-25)24-21(26)17-5-3-4-16(10-17)19-11-20(19)22-12-15-6-8-27-9-7-15/h3-5,10,13-15,19-20,22H,2,6-9,11-12H2,1H3,(H,24,26)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338655
PNG
(N-(1-tert-butyl-1H-pyrazol- 4-yl)-3-(trans-2- ((te...)
Show SMILES CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)cn1
Show InChI InChI=1S/C23H32N4O2/c1-23(2,3)27-15-19(14-25-27)26-22(28)18-6-4-5-17(11-18)20-12-21(20)24-13-16-7-9-29-10-8-16/h4-6,11,14-16,20-21,24H,7-10,12-13H2,1-3H3,(H,26,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338659
PNG
(N-(3-methyl-1,2-thiazol-5- yl)-3-(trans-2-((tetrah...)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)sn1
Show InChI InChI=1S/C20H25N3O2S/c1-13-9-19(26-23-13)22-20(24)16-4-2-3-15(10-16)17-11-18(17)21-12-14-5-7-25-8-6-14/h2-4,9-10,14,17-18,21H,5-8,11-12H2,1H3,(H,22,24)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338669
PNG
(3-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)no1
Show InChI InChI=1S/C18H21N3O2/c1-11-7-17(21-23-11)20-18(22)14-4-2-3-13(8-14)15-9-16(15)19-10-12-5-6-12/h2-4,7-8,12,15-16,19H,5-6,9-10H2,1H3,(H,20,21,22)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338686
PNG
(3-(trans-2-((cyclopropyl- methyl)- amino)cycloprop...)
Show SMILES O=C(NCCc1ccccc1)c1cccc(c1)C1CC1NCC1CC1
Show InChI InChI=1S/C22H26N2O/c25-22(23-12-11-16-5-2-1-3-6-16)19-8-4-7-18(13-19)20-14-21(20)24-15-17-9-10-17/h1-8,13,17,20-21,24H,9-12,14-15H2,(H,23,25)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338724
PNG
(3-(trans-2-((2,2- dimethylpropyl)amino)- cycloprop...)
Show SMILES Cc1nnc(NC(=O)c2cccc(c2)C2CC2NCC(C)(C)C)s1
Show InChI InChI=1S/C18H24N4OS/c1-11-21-22-17(24-11)20-16(23)13-7-5-6-12(8-13)14-9-15(14)19-10-18(2,3)4/h5-8,14-15,19H,9-10H2,1-4H3,(H,20,22,23)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338734
PNG
(N-cyclopentyl-3-(trans- 2-(tetrahydro-2H-pyran- 4-...)
Show SMILES O=C(NC1CCCC1)c1cccc(c1)C1CC1NC1CCOCC1
Show InChI InChI=1S/C20H28N2O2/c23-20(22-16-6-1-2-7-16)15-5-3-4-14(12-15)18-13-19(18)21-17-8-10-24-11-9-17/h3-5,12,16-19,21H,1-2,6-11,13H2,(H,22,23)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338769
PNG
(N-(1-(cyclopropyl- methyl)-1H-pyrazol-4- yl)-3-(tr...)
Show SMILES FC1(F)CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
Show InChI InChI=1S/C23H28F2N4O/c24-23(25)8-6-18(7-9-23)27-21-11-20(21)16-2-1-3-17(10-16)22(30)28-19-12-26-29(14-19)13-15-4-5-15/h1-3,10,12,14-15,18,20-21,27H,4-9,11,13H2,(H,28,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338504
PNG
(3-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES O=C(Nc1ccccc1)c1cccc(c1)C1CC1NCC1CC1
Show InChI InChI=1S/C20H22N2O/c23-20(22-17-7-2-1-3-8-17)16-6-4-5-15(11-16)18-12-19(18)21-13-14-9-10-14/h1-8,11,14,18-19,21H,9-10,12-13H2,(H,22,23)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338597
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES O=C(NCc1cccc(Oc2cnccn2)c1)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C25H26N4O2/c30-25(20-8-6-19(7-9-20)22-13-23(22)28-14-17-4-5-17)29-15-18-2-1-3-21(12-18)31-24-16-26-10-11-27-24/h1-3,6-12,16-17,22-23,28H,4-5,13-15H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338598
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES O=C(NCc1cccc2OCCOc12)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C23H26N2O3/c26-23(25-14-18-2-1-3-21-22(18)28-11-10-27-21)17-8-6-16(7-9-17)19-12-20(19)24-13-15-4-5-15/h1-3,6-9,15,19-20,24H,4-5,10-14H2,(H,25,26)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338599
PNG
(N-benzyl-4-(trans-2- ((4-tert-butylbenzyl)- amino)...)
Show SMILES CC(C)(C)c1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C28H32N2O/c1-28(2,3)24-15-9-21(10-16-24)18-29-26-17-25(26)22-11-13-23(14-12-22)27(31)30-19-20-7-5-4-6-8-20/h4-16,25-26,29H,17-19H2,1-3H3,(H,30,31)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338649
PNG
(N-cyclopentyl-3-(trans-2- ((tetrahydro-2H-pyran-4-...)
Show SMILES O=C(NC1CCCC1)c1cccc(c1)C1CC1NCC1CCOCC1
Show InChI InChI=1S/C21H30N2O2/c24-21(23-18-6-1-2-7-18)17-5-3-4-16(12-17)19-13-20(19)22-14-15-8-10-25-11-9-15/h3-5,12,15,18-20,22H,1-2,6-11,13-14H2,(H,23,24)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338653
PNG
(N-(1-(cyclopropylmethyl)-1H- pyrazol-4-yl)-3-(tran...)
Show SMILES O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NCC1CCOCC1
Show InChI InChI=1S/C23H30N4O2/c28-23(26-20-13-25-27(15-20)14-17-4-5-17)19-3-1-2-18(10-19)21-11-22(21)24-12-16-6-8-29-9-7-16/h1-3,10,13,15-17,21-22,24H,4-9,11-12,14H2,(H,26,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338689
PNG
(3-(trans-2-((cyclo- propylmethyl)amino)cyclo- prop...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cc1
Show InChI InChI=1S/C21H21F3N2O2/c22-21(23,24)28-17-8-6-16(7-9-17)26-20(27)15-3-1-2-14(10-15)18-11-19(18)25-12-13-4-5-13/h1-3,6-10,13,18-19,25H,4-5,11-12H2,(H,26,27)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338752
PNG
(N-(1- (cyclopropylmethyl)-1H- pyrazol-4-yl)-3-(tra...)
Show SMILES O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NC1CCN(CC1)C1CC1
Show InChI InChI=1S/C25H33N5O/c31-25(28-21-14-26-30(16-21)15-17-4-5-17)19-3-1-2-18(12-19)23-13-24(23)27-20-8-10-29(11-9-20)22-6-7-22/h1-3,12,14,16-17,20,22-24,27H,4-11,13,15H2,(H,28,31)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338762
PNG
(3-(trans-2-((1,1- dioxidotetrahydro-2H- thiopyran-...)
Show SMILES Fc1ccc(cc1)-n1cc(NC(=O)c2cccc(c2)C2CC2NC2CCS(=O)(=O)CC2)cn1
Show InChI InChI=1S/C24H25FN4O3S/c25-18-4-6-21(7-5-18)29-15-20(14-26-29)28-24(30)17-3-1-2-16(12-17)22-13-23(22)27-19-8-10-33(31,32)11-9-19/h1-7,12,14-15,19,22-23,27H,8-11,13H2,(H,28,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338771
PNG
(3-(trans-2-((1- acetylpiperidin-4- yl)amino)cyclop...)
Show SMILES CC(=O)N1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C23H26FN3O2/c1-15(28)27-11-9-20(10-12-27)25-22-14-21(22)16-3-2-4-17(13-16)23(29)26-19-7-5-18(24)6-8-19/h2-8,13,20-22,25H,9-12,14H2,1H3,(H,26,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338439
PNG
(4-(trans-2- aminocyclopropyl)-N- methyl-N-phenylbe...)
Show SMILES CN(C(=O)c1ccc(cc1)C1CC1N)c1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-19(14-5-3-2-4-6-14)17(20)13-9-7-12(8-10-13)15-11-16(15)18/h2-10,15-16H,11,18H2,1H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338777
PNG
(N-(2-methyl-1,3- thiazol-5-yl)-3-(trans- 2-(tetrah...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)s1
Show InChI InChI=1S/C19H23N3O2S/c1-12-20-11-18(25-12)22-19(23)14-4-2-3-13(9-14)16-10-17(16)21-15-5-7-24-8-6-15/h2-4,9,11,15-17,21H,5-8,10H2,1H3,(H,22,23)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338778
PNG
(N-cyclopentyl-2-fluoro- 5-(trans-2-(tetrahydro- 2H...)
Show SMILES Fc1ccc(cc1C(=O)NC1CCCC1)C1CC1NC1CCOCC1
Show InChI InChI=1S/C20H27FN2O2/c21-18-6-5-13(11-17(18)20(24)23-14-3-1-2-4-14)16-12-19(16)22-15-7-9-25-10-8-15/h5-6,11,14-16,19,22H,1-4,7-10,12H2,(H,23,24)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338796
PNG
(N-(5-methyl-1,2-oxazol- 3-yl)-3-(trans-2- ((tetrah...)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)no1
Show InChI InChI=1S/C20H25N3O3/c1-13-9-19(23-26-13)22-20(24)16-4-2-3-15(10-16)17-11-18(17)21-12-14-5-7-25-8-6-14/h2-4,9-10,14,17-18,21H,5-8,11-12H2,1H3,(H,22,23,24)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338804
PNG
(3-(trans-2-((cyclo- propylmethyl)amino)- cycloprop...)
Show SMILES Fc1ccc(cc1C1CC1NCC1CC1)C(=O)NC1CC(F)(F)C1
Show InChI InChI=1S/C18H21F3N2O/c19-15-4-3-11(17(24)23-12-7-18(20,21)8-12)5-13(15)14-6-16(14)22-9-10-1-2-10/h3-5,10,12,14,16,22H,1-2,6-9H2,(H,23,24)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338488
PNG
(4-(trans-2- aminocyclopropyl)-N- benzyl-N-methylbe...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1CC1N
Show InChI InChI=1S/C18H20N2O/c1-20(12-13-5-3-2-4-6-13)18(21)15-9-7-14(8-10-15)16-11-17(16)19/h2-10,16-17H,11-12,19H2,1H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338490
PNG
(N-benzyl-4-(trans-2- ((cyclopropylmethyl)- amino)c...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C22H26N2O/c1-24(15-17-5-3-2-4-6-17)22(25)19-11-9-18(10-12-19)20-13-21(20)23-14-16-7-8-16/h2-6,9-12,16,20-21,23H,7-8,13-15H2,1H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338514
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES Cc1cnc(CNC(=O)c2ccc(cc2)C2CC2NCC2CC2)cn1
Show InChI InChI=1S/C20H24N4O/c1-13-9-22-17(11-21-13)12-24-20(25)16-6-4-15(5-7-16)18-8-19(18)23-10-14-2-3-14/h4-7,9,11,14,18-19,23H,2-3,8,10,12H2,1H3,(H,24,25)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338539
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES O=C(NCc1ccccn1)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C20H23N3O/c24-20(23-13-17-3-1-2-10-21-17)16-8-6-15(7-9-16)18-11-19(18)22-12-14-4-5-14/h1-3,6-10,14,18-19,22H,4-5,11-13H2,(H,23,24)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338552
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES O=C(NCc1ccncc1)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C20H23N3O/c24-20(23-13-15-7-9-21-10-8-15)17-5-3-16(4-6-17)18-11-19(18)22-12-14-1-2-14/h3-10,14,18-19,22H,1-2,11-13H2,(H,23,24)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338688
PNG
(3-(trans-2-((cyclopropyl- methyl)- amino)cycloprop...)
Show SMILES Fc1cccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)c1
Show InChI InChI=1S/C20H21FN2O/c21-16-5-2-6-17(10-16)23-20(24)15-4-1-3-14(9-15)18-11-19(18)22-12-13-7-8-13/h1-6,9-10,13,18-19,22H,7-8,11-12H2,(H,23,24)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338693
PNG
(3-(trans-2-((cyclo- propylmethyl)amino) cyclopropy...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn2CCSc2n1)c1cccc(c1)C1CC1NCC1CC1
Show InChI InChI=1S/C25H26N4OS/c30-24(19-3-1-2-18(12-19)21-13-22(21)26-14-16-4-5-16)27-20-8-6-17(7-9-20)23-15-29-10-11-31-25(29)28-23/h1-3,6-9,12,15-16,21-22,26H,4-5,10-11,13-14H2,(H,27,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338695
PNG
(N-(4-benzylphenyl)-3- (trans-2-((cyclopropyl- meth...)
Show SMILES O=C(Nc1ccc(Cc2ccccc2)cc1)c1cccc(c1)C1CC1NCC1CC1
Show InChI InChI=1S/C27H28N2O/c30-27(29-24-13-11-20(12-14-24)15-19-5-2-1-3-6-19)23-8-4-7-22(16-23)25-17-26(25)28-18-21-9-10-21/h1-8,11-14,16,21,25-26,28H,9-10,15,17-18H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338712
PNG
(3-(trans-2-((cyclopropyl- methyl)amino)cyclo- prop...)
Show SMILES O=C(Nc1ccc2[nH]ncc2c1)c1cccc(c1)C1CC1NCC1CC1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338765
PNG
(N-cyclopentyl-3-(trans- 2-((1-methylpiperidin- 4-y...)
Show SMILES CN1CCC(CC1)NC1CC1c1cccc(c1)C(=O)NC1CCCC1
Show InChI InChI=1S/C21H31N3O/c1-24-11-9-18(10-12-24)22-20-14-19(20)15-5-4-6-16(13-15)21(25)23-17-7-2-3-8-17/h4-6,13,17-20,22H,2-3,7-12,14H2,1H3,(H,23,25)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338767
PNG
(N-(1-(cyclopropyl- methyl)-1H-pyrazol-4- yl)-3-(tr...)
Show SMILES CN1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
Show InChI InChI=1S/C23H31N5O/c1-27-9-7-19(8-10-27)25-22-12-21(22)17-3-2-4-18(11-17)23(29)26-20-13-24-28(15-20)14-16-5-6-16/h2-4,11,13,15-16,19,21-22,25H,5-10,12,14H2,1H3,(H,26,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338775
PNG
(3-(trans-2-(cyclobutyl- amino)cyclopropyl)-N- (2-m...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)s1
Show InChI InChI=1S/C18H21N3OS/c1-11-19-10-17(23-11)21-18(22)13-5-2-4-12(8-13)15-9-16(15)20-14-6-3-7-14/h2,4-5,8,10,14-16,20H,3,6-7,9H2,1H3,(H,21,22)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338782
PNG
(N-(1-(4-fluorobenzyl)-1H- pyrazol-4-yl)-3-(trans-2...)
Show SMILES Fc1ccc(Cn2cc(NC(=O)c3cccc(c3)C3CC3NC3CCOCC3)cn2)cc1
Show InChI InChI=1S/C25H27FN4O2/c26-20-6-4-17(5-7-20)15-30-16-22(14-27-30)29-25(31)19-3-1-2-18(12-19)23-13-24(23)28-21-8-10-32-11-9-21/h1-7,12,14,16,21,23-24,28H,8-11,13,15H2,(H,29,31)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338785
PNG
(N-(3-methyl-1,2-thiazol- 5-yl)-3-(trans-2- (tetrah...)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)sn1
Show InChI InChI=1S/C19H23N3O2S/c1-12-9-18(25-22-12)21-19(23)14-4-2-3-13(10-14)16-11-17(16)20-15-5-7-24-8-6-15/h2-4,9-10,15-17,20H,5-8,11H2,1H3,(H,21,23)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338741
PNG
(3-(trans-2-((1-cyclo- propylpiperldin-4- yl)amino)...)
Show SMILES Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C21H27N5OS/c1-13-24-25-21(28-13)23-20(27)15-4-2-3-14(11-15)18-12-19(18)22-16-7-9-26(10-8-16)17-5-6-17/h2-4,11,16-19,22H,5-10,12H2,1H3,(H,23,25,27)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338593
PNG
(N-(3-cyanobenzyl)-4- (trans-2-((cyclopropyl- methy...)
Show SMILES O=C(NCc1cccc(c1)C#N)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C22H23N3O/c23-12-16-2-1-3-17(10-16)14-25-22(26)19-8-6-18(7-9-19)20-11-21(20)24-13-15-4-5-15/h1-3,6-10,15,20-21,24H,4-5,11,13-14H2,(H,25,26)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338613
PNG
(N-benzyl-4-(trans-2- ((4-(pyrazin-2- yl)benzyl)ami...)
Show SMILES O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1ccc(cc1)-c1cnccn1
Show InChI InChI=1S/C28H26N4O/c33-28(32-18-20-4-2-1-3-5-20)24-12-10-22(11-13-24)25-16-26(25)31-17-21-6-8-23(9-7-21)27-19-29-14-15-30-27/h1-15,19,25-26,31H,16-18H2,(H,32,33)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338620
PNG
(4-(trans-2-((cyclo- propylmethyl)amino)- cycloprop...)
Show SMILES O=C(Nc1ccc(cc1)-c1ncccn1)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C24H24N4O/c29-24(28-20-10-8-18(9-11-20)23-25-12-1-13-26-23)19-6-4-17(5-7-19)21-14-22(21)27-15-16-2-3-16/h1,4-13,16,21-22,27H,2-3,14-15H2,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338801
PNG
(3-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES Cn1cc(NC(=O)c2ccc(F)c(c2)C2CC2NCC2CC2)cn1
Show InChI InChI=1S/C18H21FN4O/c1-23-10-13(9-21-23)22-18(24)12-4-5-16(19)14(6-12)15-7-17(15)20-8-11-2-3-11/h4-6,9-11,15,17,20H,2-3,7-8H2,1H3,(H,22,24)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338744
PNG
(3-(trans-2-((4,4- difluorocyclohexyl)- amino)cyclo...)
Show SMILES FC1(F)CCC(CC1)NC1CC1c1cccc(c1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C21H28F2N2O2/c22-21(23)8-4-16(5-9-21)24-19-13-18(19)14-2-1-3-15(12-14)20(26)25-17-6-10-27-11-7-17/h1-3,12,16-19,24H,4-11,13H2,(H,25,26)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338487
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES O=C(Nc1ccccc1)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C20H22N2O/c23-20(22-17-4-2-1-3-5-17)16-10-8-15(9-11-16)18-12-19(18)21-13-14-6-7-14/h1-5,8-11,14,18-19,21H,6-7,12-13H2,(H,22,23)
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Takeda Pharmaceutical Company Limited

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Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338558
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES O=C(NCc1cccnc1)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C20H23N3O/c24-20(23-13-15-2-1-9-21-11-15)17-7-5-16(6-8-17)18-10-19(18)22-12-14-3-4-14/h1-2,5-9,11,14,18-19,22H,3-4,10,12-13H2,(H,23,24)
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Takeda Pharmaceutical Company Limited

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Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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


(Homo sapiens (Human))
BDBM338594
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES FC(F)(F)c1cccnc1CNC(=O)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C21H22F3N3O/c22-21(23,24)17-2-1-9-25-19(17)12-27-20(28)15-7-5-14(6-8-15)16-10-18(16)26-11-13-3-4-13/h1-2,5-9,13,16,18,26H,3-4,10-12H2,(H,27,28)
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Takeda Pharmaceutical Company Limited

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Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)

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