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Patent code US10233152

Compile Data Set for Download or QSAR
Found 161 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))
BDBM369539
PNG
(US10233152, Example 64)
Show SMILES Brc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C21H25BrN2O/c22-18-6-8-19(9-7-18)25-11-10-24-14-16(15-24)13-23-21-12-20(21)17-4-2-1-3-5-17/h1-9,16,20-21,23H,10-15H2/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369495
PNG
(US10233152, Example 33)
Show SMILES Brc1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C22H28BrN3/c23-18-6-8-19(9-7-18)24-12-15-26-13-10-20(11-14-26)25-22-16-21(22)17-4-2-1-3-5-17/h1-9,20-22,24-25H,10-16H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369535
PNG
(US10233152, Example 60)
Show SMILES O=S(=O)(NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1/C22H29N3O2S/c26-28(27,20-9-5-2-6-10-20)23-13-16-25-14-11-19(12-15-25)24-22-17-21(22)18-7-3-1-4-8-18/h1-10,19,21-24H,11-17H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369532
PNG
(US10233152, Example 57)
Show SMILES O=C1OCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C25H32N4O2/c30-25-29(16-17-31-25)22-8-6-20(7-9-22)26-12-15-28-13-10-21(11-14-28)27-24-18-23(24)19-4-2-1-3-5-19/h1-9,21,23-24,26-27H,10-18H2/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369621
PNG
(US10233152, Example 128)
Show SMILES CNS(=O)(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C17H27N3O2S/c1-18-23(21,22)12-11-20-9-7-15(8-10-20)19-17-13-16(17)14-5-3-2-4-6-14/h2-6,15-19H,7-13H2,1H3/t16-,17+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369478
PNG
(N,N-Dimethyl-2-(4-(2-(4-(((1R,2S)-2-phenylcyclopro...)
Show SMILES CONC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C25H33N3O3/c1-30-27-25(29)17-19-7-9-22(10-8-19)31-16-15-28-13-11-21(12-14-28)26-24-18-23(24)20-5-3-2-4-6-20/h2-10,21,23-24,26H,11-18H2,1H3,(H,27,29)/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369650
PNG
(US10233152, Example 157)
Show SMILES OC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1
Show InChI InChI=1/C24H29ClN2O3/c25-21-14-17(15-24(28)29)6-7-23(21)30-13-12-27-10-8-19(9-11-27)26-22-16-20(22)18-4-2-1-3-5-18/h1-7,14,19-20,22,26H,8-13,15-16H2,(H,28,29)/t20-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369484
PNG
(US10233152, Example 24)
Show SMILES O=C1OCCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H33N3O3/c30-26-29(13-4-17-32-26)22-7-9-23(10-8-22)31-18-16-28-14-11-21(12-15-28)27-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-10,21,24-25,27H,4,11-19H2/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369533
PNG
(US10233152, Example 58)
Show SMILES CN1CCN(C1=O)c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H35N5O/c1-29-17-18-31(26(29)32)23-9-7-21(8-10-23)27-13-16-30-14-11-22(12-15-30)28-25-19-24(25)20-5-3-2-4-6-20/h2-10,22,24-25,27-28H,11-19H2,1H3/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369512
PNG
(US10233152, Example 50)
Show SMILES O=C1CCCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H36N4O/c32-27-8-4-5-16-31(27)24-11-9-22(10-12-24)28-15-19-30-17-13-23(14-18-30)29-26-20-25(26)21-6-2-1-3-7-21/h1-3,6-7,9-12,23,25-26,28-29H,4-5,8,13-20H2/t25-,26+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369496
PNG
(US10233152, Example 34)
Show SMILES OC(COc1ccc(cc1)C(O)=O)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C24H30N2O4/c27-20(16-30-21-8-6-18(7-9-21)24(28)29)15-26-12-10-19(11-13-26)25-23-14-22(23)17-4-2-1-3-5-17/h1-9,19-20,22-23,25,27H,10-16H2,(H,28,29)/t20?,22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369483
PNG
(US10233152, Example 23)
Show SMILES CN1CCN(C1=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H34N4O2/c1-28-15-16-30(26(28)31)22-7-9-23(10-8-22)32-18-17-29-13-11-21(12-14-29)27-25-19-24(25)20-5-3-2-4-6-20/h2-10,21,24-25,27H,11-19H2,1H3/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369541
PNG
(US10233152, Example 66)
Show SMILES Clc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)c(Cl)c1
Show InChI InChI=1/C21H24Cl2N2O/c22-17-6-7-21(19(23)10-17)26-9-8-25-13-15(14-25)12-24-20-11-18(20)16-4-2-1-3-5-16/h1-7,10,15,18,20,24H,8-9,11-14H2/t18-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369491
PNG
(US10233152, Example 29)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Nc1ccccc1
Show InChI InChI=1/C22H29N3/c1-3-7-18(8-4-1)21-17-22(21)24-20-11-14-25(15-12-20)16-13-23-19-9-5-2-6-10-19/h1-10,20-24H,11-17H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369530
PNG
(US10233152, Example 55)
Show SMILES CN1CCN(CC1)c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H39N5/c1-30-17-19-32(20-18-30)25-9-7-23(8-10-25)28-13-16-31-14-11-24(12-15-31)29-27-21-26(27)22-5-3-2-4-6-22/h2-10,24,26-29H,11-21H2,1H3/t26-,27+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369551
PNG
(US10233152, Example 74)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C29H33N3O4S/c33-29(31-37(34,35)26-9-5-2-6-10-26)23-11-13-25(14-12-23)36-20-19-32-17-15-24(16-18-32)30-28-21-27(28)22-7-3-1-4-8-22/h1-14,24,27-28,30H,15-21H2,(H,31,33)/t27-,28+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369576
PNG
(US10233152, Example 91)
Show SMILES CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccc(cc1)N1CCCOC1=O
Show InChI InChI=1/C27H36N4O2/c1-29(23-8-10-24(11-9-23)31-14-5-19-33-27(31)32)17-18-30-15-12-22(13-16-30)28-26-20-25(26)21-6-3-2-4-7-21/h2-4,6-11,22,25-26,28H,5,12-20H2,1H3/t25-,26+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369476
PNG
(N-(Methylsulfonyl)-2-(4-(2-(4-(((1R,2S)-2-phenylcy...)
Show SMILES O=C(Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H35N3O4S/c34-30(32-38(35,36)27-9-5-2-6-10-27)21-23-11-13-26(14-12-23)37-20-19-33-17-15-25(16-18-33)31-29-22-28(29)24-7-3-1-4-8-24/h1-14,25,28-29,31H,15-22H2,(H,32,34)/t28-,29+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369574
PNG
(US10233152, Example 89)
Show SMILES CN1CCN(CC1)c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)nc1
Show InChI InChI=1/C25H35N5O/c1-28-9-11-30(12-10-28)22-7-8-25(27-17-22)31-14-13-29-18-20(19-29)16-26-24-15-23(24)21-5-3-2-4-6-21/h2-8,17,20,23-24,26H,9-16,18-19H2,1H3/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369643
PNG
(US10233152, Example 150)
Show SMILES O=C(CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCNCC1
Show InChI InChI=1/C22H34N4O/c27-22(26-15-10-23-11-16-26)7-4-12-25-13-8-19(9-14-25)24-21-17-20(21)18-5-2-1-3-6-18/h1-3,5-6,19-21,23-24H,4,7-17H2/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369481
PNG
(US10233152, Example 21)
Show SMILES CN1CCN(CC1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H38N4O/c1-29-15-17-31(18-16-29)24-7-9-25(10-8-24)32-20-19-30-13-11-23(12-14-30)28-27-21-26(27)22-5-3-2-4-6-22/h2-10,23,26-28H,11-21H2,1H3/t26-,27+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369580
PNG
(US10233152, Example 95)
Show SMILES Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C23H30N2O/c1-18-7-9-21(10-8-18)26-16-15-25-13-11-20(12-14-25)24-23-17-22(23)19-5-3-2-4-6-19/h2-10,20,22-24H,11-17H2,1H3/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369550
PNG
(US10233152, Example 73)
Show SMILES O=C(NS(=O)(=O)C1CC1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H33N3O4S/c30-26(28-34(31,32)23-10-11-23)20-6-8-22(9-7-20)33-17-16-29-14-12-21(13-15-29)27-25-18-24(25)19-4-2-1-3-5-19/h1-9,21,23-25,27H,10-18H2,(H,28,30)/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369480
PNG
(1-[2-(4-morpholinophenoxy)ethyl]-N—[(R, 2S)-2...)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ccc(cc1)N1CCOCC1
Show InChI InChI=1/C26H35N3O2/c1-2-4-21(5-3-1)25-20-26(25)27-22-10-12-28(13-11-22)14-19-31-24-8-6-23(7-9-24)29-15-17-30-18-16-29/h1-9,22,25-27H,10-20H2/t25-,26+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369531
PNG
(US10233152, Example 56)
Show SMILES O=C1CCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H34N4O/c31-26-7-4-15-30(26)23-10-8-21(9-11-23)27-14-18-29-16-12-22(13-17-29)28-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-6,8-11,22,24-25,27-28H,4,7,12-19H2/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369482
PNG
(US10233152, Example 22)
Show SMILES O=C1OCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C25H31N3O3/c29-25-28(15-17-31-25)21-6-8-22(9-7-21)30-16-14-27-12-10-20(11-13-27)26-24-18-23(24)19-4-2-1-3-5-19/h1-9,20,23-24,26H,10-18H2/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369472
PNG
(1-[2-(4-bromophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyc...)
Show SMILES Brc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C22H27BrN2O/c23-18-6-8-20(9-7-18)26-15-14-25-12-10-19(11-13-25)24-22-16-21(22)17-4-2-1-3-5-17/h1-9,19,21-22,24H,10-16H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369593
PNG
(US10233152, Example 104)
Show SMILES O=C1CCc2cc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)ccc2N1
Show InChI InChI=1/C25H31N3O2/c29-25-9-6-19-16-21(7-8-23(19)27-25)30-15-14-28-12-10-20(11-13-28)26-24-17-22(24)18-4-2-1-3-5-18/h1-5,7-8,16,20,22,24,26H,6,9-15,17H2,(H,27,29)/t22-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369545
PNG
(US10233152, Example 68)
Show SMILES Fc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)c(F)c1
Show InChI InChI=1/C21H24F2N2O/c22-17-6-7-21(19(23)10-17)26-9-8-25-13-15(14-25)12-24-20-11-18(20)16-4-2-1-3-5-16/h1-7,10,15,18,20,24H,8-9,11-14H2/t18-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369570
PNG
(US10233152, Example 85)
Show SMILES Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cn1
Show InChI InChI=1/C22H29N3O/c1-17-7-8-20(16-23-17)26-14-13-25-11-9-19(10-12-25)24-22-15-21(22)18-5-3-2-4-6-18/h2-8,16,19,21-22,24H,9-15H2,1H3/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369514
PNG
(US10233152, Example 52)
Show SMILES O=C1COCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H34N4O2/c31-26-19-32-17-16-30(26)23-8-6-21(7-9-23)27-12-15-29-13-10-22(11-14-29)28-25-18-24(25)20-4-2-1-3-5-20/h1-9,22,24-25,27-28H,10-19H2/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369594
PNG
(US10233152, Example 105)
Show SMILES O=C1Cc2cc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)ccc2N1
Show InChI InChI=1/C24H29N3O2/c28-24-15-18-14-20(6-7-22(18)26-24)29-13-12-27-10-8-19(9-11-27)25-23-16-21(23)17-4-2-1-3-5-17/h1-7,14,19,21,23,25H,8-13,15-16H2,(H,26,28)/t21-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369513
PNG
(US10233152, Example 51)
Show SMILES O=C1OCCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H34N4O2/c31-26-30(14-4-18-32-26)23-9-7-21(8-10-23)27-13-17-29-15-11-22(12-16-29)28-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-10,22,24-25,27-28H,4,11-19H2/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369478
PNG
(N,N-Dimethyl-2-(4-(2-(4-(((1R,2S)-2-phenylcyclopro...)
Show SMILES CONC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C25H33N3O3/c1-30-27-25(29)17-19-7-9-22(10-8-19)31-16-15-28-13-11-21(12-14-28)26-24-18-23(24)20-5-3-2-4-6-20/h2-10,21,23-24,26H,11-18H2,1H3,(H,27,29)/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369476
PNG
(N-(Methylsulfonyl)-2-(4-(2-(4-(((1R,2S)-2-phenylcy...)
Show SMILES O=C(Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H35N3O4S/c34-30(32-38(35,36)27-9-5-2-6-10-27)21-23-11-13-26(14-12-23)37-20-19-33-17-15-25(16-18-33)31-29-22-28(29)24-7-3-1-4-8-24/h1-14,25,28-29,31H,15-22H2,(H,32,34)/t28-,29+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369602
PNG
(US10233152, Example 111)
Show SMILES Clc1cc(Cl)cc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1
Show InChI InChI=1/C22H26Cl2N2O/c23-17-12-18(24)14-20(13-17)27-11-10-26-8-6-19(7-9-26)25-22-15-21(22)16-4-2-1-3-5-16/h1-5,12-14,19,21-22,25H,6-11,15H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369571
PNG
(US10233152, Example 86)
Show SMILES CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1/C23H30BrN3/c1-26(21-9-7-19(24)8-10-21)15-16-27-13-11-20(12-14-27)25-23-17-22(23)18-5-3-2-4-6-18/h2-10,20,22-23,25H,11-17H2,1H3/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369529
PNG
(US10233152, Example 54)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1/C26H36N4O/c1-2-4-21(5-3-1)25-20-26(25)28-23-10-13-29(14-11-23)15-12-27-22-6-8-24(9-7-22)30-16-18-31-19-17-30/h1-9,23,25-28H,10-20H2/t25-,26+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369630
PNG
(US10233152, Example 137)
Show SMILES O=c1[nH]c2ccc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)cc2o1
Show InChI InChI=1/C23H27N3O3/c27-23-25-20-7-6-18(14-22(20)29-23)28-13-12-26-10-8-17(9-11-26)24-21-15-19(21)16-4-2-1-3-5-16/h1-7,14,17,19,21,24H,8-13,15H2,(H,25,27)/t19-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369561
PNG
(US10233152, Example 78)
Show SMILES O=C1CCCCN1c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C26H33N3O2/c30-26-8-4-5-13-29(26)22-9-11-23(12-10-22)31-15-14-28-18-20(19-28)17-27-25-16-24(25)21-6-2-1-3-7-21/h1-3,6-7,9-12,20,24-25,27H,4-5,8,13-19H2/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369639
PNG
(US10233152, Example 146)
Show SMILES CN1CCN(CC1)C(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C22H34N4O/c1-24-13-15-26(16-14-24)22(27)9-12-25-10-7-19(8-11-25)23-21-17-20(21)18-5-3-2-4-6-18/h2-6,19-21,23H,7-17H2,1H3/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369651
PNG
(US10233152, Example 158)
Show SMILES OC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c(F)c1
Show InChI InChI=1/C24H29FN2O3/c25-21-14-17(15-24(28)29)6-7-23(21)30-13-12-27-10-8-19(9-11-27)26-22-16-20(22)18-4-2-1-3-5-18/h1-7,14,19-20,22,26H,8-13,15-16H2,(H,28,29)/t20-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369490
PNG
(US10233152, Example 28)
Show SMILES O=C1CCCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H35N3O2/c31-27-8-4-5-15-30(27)23-9-11-24(12-10-23)32-19-18-29-16-13-22(14-17-29)28-26-20-25(26)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,25-26,28H,4-5,8,13-20H2/t25-,26+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369540
PNG
(US10233152, Example 65)
Show SMILES Clc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1
Show InChI InChI=1/C22H26Cl2N2O/c23-17-6-7-22(20(24)14-17)27-13-12-26-10-8-18(9-11-26)25-21-15-19(21)16-4-2-1-3-5-16/h1-7,14,18-19,21,25H,8-13,15H2/t19-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369534
PNG
(US10233152, Example 59)
Show SMILES CS(=O)(=O)NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C17H27N3O2S/c1-23(21,22)18-9-12-20-10-7-15(8-11-20)19-17-13-16(17)14-5-3-2-4-6-14/h2-6,15-19H,7-13H2,1H3/t16-,17+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369470
PNG
((trans)-N-[[1-(2-phenoxyethyl)azetidin-3-yl]methyl...)
Show SMILES C(CN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)Oc1ccccc1
Show InChI InChI=1/C21H26N2O/c1-3-7-18(8-4-1)20-13-21(20)22-14-17-15-23(16-17)11-12-24-19-9-5-2-6-10-19/h1-10,17,20-22H,11-16H2/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369544
PNG
(US10233152, Example 67)
Show SMILES Fc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c(F)c1
Show InChI InChI=1/C22H26F2N2O/c23-17-6-7-22(20(24)14-17)27-13-12-26-10-8-18(9-11-26)25-21-15-19(21)16-4-2-1-3-5-16/h1-7,14,18-19,21,25H,8-13,15H2/t19-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369537
PNG
(US10233152, Example 62)
Show SMILES OC(=O)\C=C\c1ccc(OCCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H32N2O3/c29-26(30)12-9-20-7-10-23(11-8-20)31-18-4-15-28-16-13-22(14-17-28)27-25-19-24(25)21-5-2-1-3-6-21/h1-3,5-12,22,24-25,27H,4,13-19H2,(H,29,30)/b12-9+/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369557
PNG
(US10233152, Example 123 | US10233152, Example 76)
Show SMILES O=C1OCCCN1c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C25H31N3O3/c29-25-28(11-4-13-31-25)21-7-9-22(10-8-21)30-14-12-27-17-19(18-27)16-26-24-15-23(24)20-5-2-1-3-6-20/h1-3,5-10,19,23-24,26H,4,11-18H2/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369547
PNG
(US10233152, Example 70)
Show SMILES Cc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C22H28N2O/c1-17-7-9-20(10-8-17)25-12-11-24-15-18(16-24)14-23-22-13-21(22)19-5-3-2-4-6-19/h2-10,18,21-23H,11-16H2,1H3/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369637
PNG
(US10233152, Example 144)
Show SMILES O=C(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCNCC1
Show InChI InChI=1/C21H32N4O/c26-21(25-14-9-22-10-15-25)8-13-24-11-6-18(7-12-24)23-20-16-19(20)17-4-2-1-3-5-17/h1-5,18-20,22-23H,6-16H2/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369601
PNG
(US10233152, Example 110)
Show SMILES Fc1cc(F)cc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1
Show InChI InChI=1/C22H26F2N2O/c23-17-12-18(24)14-20(13-17)27-11-10-26-8-6-19(7-9-26)25-22-15-21(22)16-4-2-1-3-5-16/h1-5,12-14,19,21-22,25H,6-11,15H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369605
PNG
(US10233152, Example 113)
Show SMILES Fc1cccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1
Show InChI InChI=1/C22H27FN2O/c23-18-7-4-8-20(15-18)26-14-13-25-11-9-19(10-12-25)24-22-16-21(22)17-5-2-1-3-6-17/h1-8,15,19,21-22,24H,9-14,16H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369506
PNG
(N,2-dimethyl-N-[2-[4-[[(R, 2S)-2-phenylcyclopropyl...)
Show SMILES CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccnc(C)c1
Show InChI InChI=1/C23H32N4/c1-18-16-21(8-11-24-18)26(2)14-15-27-12-9-20(10-13-27)25-23-17-22(23)19-6-4-3-5-7-19/h3-8,11,16,20,22-23,25H,9-10,12-15,17H2,1-2H3/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369644
PNG
(US10233152, Example 151)
Show SMILES O=C(CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCOCC1
Show InChI InChI=1/C22H33N3O2/c26-22(25-13-15-27-16-14-25)7-4-10-24-11-8-19(9-12-24)23-21-17-20(21)18-5-2-1-3-6-18/h1-3,5-6,19-21,23H,4,7-17H2/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369622
PNG
(US10233152, Example 129)
Show SMILES CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)S(C)(=O)=O
Show InChI InChI=1/C18H29N3O2S/c1-20(24(2,22)23)12-13-21-10-8-16(9-11-21)19-18-14-17(18)15-6-4-3-5-7-15/h3-7,16-19H,8-14H2,1-2H3/t17-,18+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369558
PNG
(US10233152, Example 77)
Show SMILES O=C1COCCN1c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C25H31N3O3/c29-25-18-30-12-11-28(25)21-6-8-22(9-7-21)31-13-10-27-16-19(17-27)15-26-24-14-23(24)20-4-2-1-3-5-20/h1-9,19,23-24,26H,10-18H2/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369504
PNG
(1-[2-(4-bromophenoxy)ethyl]-4-[[(1R,2S)-2-phenylcy...)
Show SMILES Brc1ccc(OCCN2CCC(CC2=O)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C22H25BrN2O2/c23-17-6-8-19(9-7-17)27-13-12-25-11-10-18(14-22(25)26)24-21-15-20(21)16-4-2-1-3-5-16/h1-9,18,20-21,24H,10-15H2/t18?,20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369471
PNG
((trans)-N-[[1-(3-phenoxypropyl)azetidin-3-yl]methy...)
Show SMILES C(COc1ccccc1)CN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1
Show InChI InChI=1/C22H28N2O/c1-3-8-19(9-4-1)21-14-22(21)23-15-18-16-24(17-18)12-7-13-25-20-10-5-2-6-11-20/h1-6,8-11,18,21-23H,7,12-17H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369510
PNG
(1-Morpholino-3-(4-(((1R,2S)-2-phenylcyclopropyl)am...)
Show SMILES O=C(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCOCC1
Show InChI InChI=1/C21H31N3O2/c25-21(24-12-14-26-15-13-24)8-11-23-9-6-18(7-10-23)22-20-16-19(20)17-4-2-1-3-5-17/h1-5,18-20,22H,6-16H2/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369475
PNG
(2-(4-(2-(4-(((1R,2S)-2-Phenylcyclopropyl)amino)pip...)
Show SMILES COC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C25H32N2O3/c1-29-25(28)17-19-7-9-22(10-8-19)30-16-15-27-13-11-21(12-14-27)26-24-18-23(24)20-5-3-2-4-6-20/h2-10,21,23-24,26H,11-18H2,1H3/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369557
PNG
(US10233152, Example 123 | US10233152, Example 76)
Show SMILES O=C1OCCCN1c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C25H31N3O3/c29-25-28(11-4-13-31-25)21-7-9-22(10-8-21)30-14-12-27-17-19(18-27)16-26-24-15-23(24)20-5-2-1-3-6-20/h1-3,5-10,19,23-24,26H,4,11-18H2/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369629
PNG
(US10233152, Example 136)
Show SMILES O=C1COc2cc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)ccc2N1
Show InChI InChI=1/C24H29N3O3/c28-24-16-30-23-14-19(6-7-21(23)26-24)29-13-12-27-10-8-18(9-11-27)25-22-15-20(22)17-4-2-1-3-5-17/h1-7,14,18,20,22,25H,8-13,15-16H2,(H,26,28)/t20-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369597
PNG
(US10233152, Example 108)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ccnc2ccccc12
Show InChI InChI=1/C25H29N3O/c1-2-6-19(7-3-1)22-18-24(22)27-20-11-14-28(15-12-20)16-17-29-25-10-13-26-23-9-5-4-8-21(23)25/h1-10,13,20,22,24,27H,11-12,14-18H2/t22-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369502
PNG
((E)-3-(4-(2-(4-(((1R,2S)-2-Phenylcyclopropyl)amino...)
Show SMILES COC(=O)\C=C\c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H32N2O3/c1-30-26(29)12-9-20-7-10-23(11-8-20)31-18-17-28-15-13-22(14-16-28)27-25-19-24(25)21-5-3-2-4-6-21/h2-12,22,24-25,27H,13-19H2,1H3/b12-9+/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369634
PNG
(US10233152, Example 141)
Show SMILES OC(=O)c1ccnc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1
Show InChI InChI=1/C22H28N4O2/c27-22(28)17-6-9-23-21(14-17)24-10-13-26-11-7-18(8-12-26)25-20-15-19(20)16-4-2-1-3-5-16/h1-6,9,14,18-20,25H,7-8,10-13,15H2,(H,23,24)(H,27,28)/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369515
PNG
(US10233152, Example 53)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1/C27H38N4/c1-3-7-22(8-4-1)26-21-27(26)29-24-13-18-30(19-14-24)20-15-28-23-9-11-25(12-10-23)31-16-5-2-6-17-31/h1,3-4,7-12,24,26-29H,2,5-6,13-21H2/t26-,27+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369606
PNG
(US10233152, Example 114)
Show SMILES Cc1cccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)n1
Show InChI InChI=1/C22H29N3O/c1-17-6-5-9-22(23-17)26-15-14-25-12-10-19(11-13-25)24-21-16-20(21)18-7-3-2-4-8-18/h2-9,19-21,24H,10-16H2,1H3/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369536
PNG
(US10233152, Example 61)
Show SMILES OC(=O)c1ccc(OCCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C24H30N2O3/c27-24(28)19-7-9-21(10-8-19)29-16-4-13-26-14-11-20(12-15-26)25-23-17-22(23)18-5-2-1-3-6-18/h1-3,5-10,20,22-23,25H,4,11-17H2,(H,27,28)/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369583
PNG
(US10233152, Example 98)
Show SMILES C[N]1(CCOc2ccc(CC(=O)NS(C)(=O)=O)cc2)CC(CN[C@@H]2C[C@H]2c2ccccc2)C1
Show InChI InChI=1/C25H34N3O4S/c1-28(17-20(18-28)16-26-24-15-23(24)21-6-4-3-5-7-21)12-13-32-22-10-8-19(9-11-22)14-25(29)27-33(2,30)31/h3-11,20,23-24,26H,12-18H2,1-2H3,(H,27,29)/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369468
PNG
((S)-1-phenoxy-3-(4-(((1S,2R)-2-phenylcyclopropyl)a...)
Show SMILES O[C@H](COc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C23H30N2O2/c26-20(17-27-21-9-5-2-6-10-21)16-25-13-11-19(12-14-25)24-23-15-22(23)18-7-3-1-4-8-18/h1-10,19-20,22-24,26H,11-17H2/t20-,22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369607
PNG
(US10233152, Example 115)
Show SMILES Cc1ncc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cn1
Show InChI InChI=1/C21H28N4O/c1-16-22-14-19(15-23-16)26-12-11-25-9-7-18(8-10-25)24-21-13-20(21)17-5-3-2-4-6-17/h2-6,14-15,18,20-21,24H,7-13H2,1H3/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369492
PNG
(US10233152, Example 30)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ccc(cc1)N1CCCCC1
Show InChI InChI=1/C27H37N3O/c1-3-7-22(8-4-1)26-21-27(26)28-23-13-17-29(18-14-23)19-20-31-25-11-9-24(10-12-25)30-15-5-2-6-16-30/h1,3-4,7-12,23,26-28H,2,5-6,13-21H2/t26-,27+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369591
PNG
(US10233152, Example 102)
Show SMILES C[N]1(CCOc2ccc(cc2)C(=O)NS(C)(=O)=O)CC(CN[C@@H]2C[C@H]2c2ccccc2)C1
Show InChI InChI=1/C24H32N3O4S/c1-27(12-13-31-21-10-8-20(9-11-21)24(28)26-32(2,29)30)16-18(17-27)15-25-23-14-22(23)19-6-4-3-5-7-19/h3-11,18,22-23,25H,12-17H2,1-2H3,(H,26,28)/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369623
PNG
(US10233152, Example 130)
Show SMILES O=S(=O)(NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)C1CC1
Show InChI InChI=1/C19H29N3O2S/c23-25(24,17-6-7-17)20-10-13-22-11-8-16(9-12-22)21-19-14-18(19)15-4-2-1-3-5-15/h1-5,16-21H,6-14H2/t18-,19+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369595
PNG
(US10233152, Example 106)
Show SMILES Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1F
Show InChI InChI=1/C23H29FN2O/c1-17-7-8-20(15-22(17)24)27-14-13-26-11-9-19(10-12-26)25-23-16-21(23)18-5-3-2-4-6-18/h2-8,15,19,21,23,25H,9-14,16H2,1H3/t21-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369642
PNG
(US10233152, Example 149)
Show SMILES CN1CCN(CC1)C(=O)CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C23H36N4O/c1-25-14-16-27(17-15-25)23(28)8-5-11-26-12-9-20(10-13-26)24-22-18-21(22)19-6-3-2-4-7-19/h2-4,6-7,20-22,24H,5,8-18H2,1H3/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369538
PNG
(US10233152, Example 63)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C28H39N5O/c1-22(34)32-17-19-33(20-18-32)26-9-7-24(8-10-26)29-13-16-31-14-11-25(12-15-31)30-28-21-27(28)23-5-3-2-4-6-23/h2-10,25,27-30H,11-21H2,1H3/t27-,28+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369626
PNG
(US10233152, Example 133)
Show SMILES CN([C@@H]1C[C@H]1c1ccccc1)C1CCN(CCOc2ccc(cc2)N2CCOC2=O)CC1
Show InChI InChI=1/C26H33N3O3/c1-27(25-19-24(25)20-5-3-2-4-6-20)21-11-13-28(14-12-21)15-17-31-23-9-7-22(8-10-23)29-16-18-32-26(29)30/h2-10,21,24-25H,11-19H2,1H3/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369503
PNG
(N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-pip...)
Show SMILES CC(CNS(C)(=O)=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C18H29N3O2S/c1-14(13-19-24(2,22)23)21-10-8-16(9-11-21)20-18-12-17(18)15-6-4-3-5-7-15/h3-7,14,16-20H,8-13H2,1-2H3/t14?,17-,18+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369653
PNG
(US10233152, Example 160)
Show SMILES OC(=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1
Show InChI InChI=1/C23H26F2N2O3/c24-20-6-3-16(13-21(20)25)19-14-22(19)26-17-7-9-27(10-8-17)11-12-30-18-4-1-15(2-5-18)23(28)29/h1-6,13,17,19,22,26H,7-12,14H2,(H,28,29)/t19-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369641
PNG
(US10233152, Example 148)
Show SMILES O=C(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCSCC1
Show InChI InChI=1/C21H31N3OS/c25-21(24-12-14-26-15-13-24)8-11-23-9-6-18(7-10-23)22-20-16-19(20)17-4-2-1-3-5-17/h1-5,18-20,22H,6-16H2/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369467
PNG
((R)-1-phenoxy-3-(4-(((1S,2R)-2-phenylcyclopropyl)a...)
Show SMILES O[C@@H](COc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C23H30N2O2/c26-20(17-27-21-9-5-2-6-10-21)16-25-13-11-19(12-14-25)24-23-15-22(23)18-7-3-1-4-8-18/h1-10,19-20,22-24,26H,11-17H2/t20-,22+,23-/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369474
PNG
(1-(2-Phenoxyethyl)-N-((trans)-2-phenylcyclopropyl)...)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ccccc1
Show InChI InChI=1/C22H28N2O/c1-3-7-18(8-4-1)21-17-22(21)23-19-11-13-24(14-12-19)15-16-25-20-9-5-2-6-10-20/h1-10,19,21-23H,11-17H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369465
PNG
(2-methyl-1-phenoxy-3-(4-(((trans)-2-phenylcyclopro...)
Show SMILES CC(O)(COc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C24H32N2O2/c1-24(27,18-28-21-10-6-3-7-11-21)17-26-14-12-20(13-15-26)25-23-16-22(23)19-8-4-2-5-9-19/h2-11,20,22-23,25,27H,12-18H2,1H3/t22-,23+,24?/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369610
PNG
(US10233152, Example 117)
Show SMILES OCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C16H24N2O/c19-11-10-18-8-6-14(7-9-18)17-16-12-15(16)13-4-2-1-3-5-13/h1-5,14-17,19H,6-12H2/t15-,16+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369579
PNG
(US10233152, Example 94)
Show SMILES O=C1OCCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)nc1
Show InChI InChI=1/C25H32N4O3/c30-25-29(11-4-15-32-25)21-7-8-24(26-18-21)31-16-14-28-12-9-20(10-13-28)27-23-17-22(23)19-5-2-1-3-6-19/h1-3,5-8,18,20,22-23,27H,4,9-17H2/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369654
PNG
(US10233152, Example 161)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C23H35N3O2/c1-17-15-26(16-18(2)28-17)23(27)10-13-25-11-8-20(9-12-25)24-22-14-21(22)19-6-4-3-5-7-19/h3-7,17-18,20-22,24H,8-16H2,1-2H3/t17-,18+,21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369549
PNG
(US10233152, Example 72)
Show SMILES OC(=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C23H28N2O3/c26-23(27)18-6-8-20(9-7-18)28-15-14-25-12-10-19(11-13-25)24-22-16-21(22)17-4-2-1-3-5-17/h1-9,19,21-22,24H,10-16H2,(H,26,27)/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369505
PNG
(2-(2-Fluoro-4-(2-(4-(((1R,2S)-2-phenylcyclopropyl)...)
Show SMILES COC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1F
Show InChI InChI=1/C25H31FN2O3/c1-30-25(29)15-19-7-8-21(16-23(19)26)31-14-13-28-11-9-20(10-12-28)27-24-17-22(24)18-5-3-2-4-6-18/h2-8,16,20,22,24,27H,9-15,17H2,1H3/t22-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369631
PNG
(US10233152, Example 138)
Show SMILES Cc1cnc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)s1
Show InChI InChI=1/C20H27N3OS/c1-15-14-21-20(25-15)24-12-11-23-9-7-17(8-10-23)22-19-13-18(19)16-5-3-2-4-6-16/h2-6,14,17-19,22H,7-13H2,1H3/t18-,19+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369613
PNG
(US10233152, Example 120)
Show SMILES Cc1cc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)n(C)n1
Show InChI InChI=1/C21H30N4O/c1-16-14-21(24(2)23-16)26-13-12-25-10-8-18(9-11-25)22-20-15-19(20)17-6-4-3-5-7-17/h3-7,14,18-20,22H,8-13,15H2,1-2H3/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369618
PNG
(US10233152, Example 125)
Show SMILES Cc1c(F)cc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1F
Show InChI InChI=1/C23H28F2N2O/c1-16-21(24)13-19(14-22(16)25)28-12-11-27-9-7-18(8-10-27)26-23-15-20(23)17-5-3-2-4-6-17/h2-6,13-14,18,20,23,26H,7-12,15H2,1H3/t20-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369624
PNG
(US10233152, Example 131)
Show SMILES CN(C)C(=O)NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C19H30N4O/c1-22(2)19(24)20-10-13-23-11-8-16(9-12-23)21-18-14-17(18)15-6-4-3-5-7-15/h3-7,16-18,21H,8-14H2,1-2H3,(H,20,24)/t17-,18+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369569
PNG
(US10233152, Example 84)
Show SMILES Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)nc1
Show InChI InChI=1/C22H29N3O/c1-17-7-8-22(23-16-17)26-14-13-25-11-9-19(10-12-25)24-21-15-20(21)18-5-3-2-4-6-18/h2-8,16,19-21,24H,9-15H2,1H3/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369592
PNG
(US10233152, Example 103)
Show SMILES O=C1OCCCN1c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cn1
Show InChI InChI=1/C24H30N4O3/c29-24-28(9-4-11-31-24)23-8-7-20(15-26-23)30-12-10-27-16-18(17-27)14-25-22-13-21(22)19-5-2-1-3-6-19/h1-3,5-8,15,18,21-22,25H,4,9-14,16-17H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369619
PNG
(US10233152, Example 126)
Show SMILES Cc1nnc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)s1
Show InChI InChI=1/C19H26N4OS/c1-14-21-22-19(25-14)24-12-11-23-9-7-16(8-10-23)20-18-13-17(18)15-5-3-2-4-6-15/h2-6,16-18,20H,7-13H2,1H3/t17-,18+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369645
PNG
(US10233152, Example 152)
Show SMILES O=C(CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C24H31N3O3S/c28-24(26-31(29,30)21-10-5-2-6-11-21)12-7-15-27-16-13-20(14-17-27)25-23-18-22(23)19-8-3-1-4-9-19/h1-6,8-11,20,22-23,25H,7,12-18H2,(H,26,28)/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369575
PNG
(US10233152, Example 90)
Show SMILES OC(=O)Cc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C23H28N2O3/c26-23(27)12-17-6-8-20(9-7-17)28-11-10-25-15-18(16-25)14-24-22-13-21(22)19-4-2-1-3-5-19/h1-9,18,21-22,24H,10-16H2,(H,26,27)/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369554
PNG
(US10233152, Example 75)
Show SMILES CS(=O)(=O)NC(=O)\C=C\c1ccc(OCCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H35N3O4S/c1-35(32,33)29-27(31)13-10-21-8-11-24(12-9-21)34-19-5-16-30-17-14-23(15-18-30)28-26-20-25(26)22-6-3-2-4-7-22/h2-4,6-13,23,25-26,28H,5,14-20H2,1H3,(H,29,31)/b13-10+/t25-,26+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369652
PNG
(US10233152, Example 159)
Show SMILES Cc1cc(CC(O)=O)ccc1OCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C25H32N2O3/c1-18-15-19(16-25(28)29)7-8-24(18)30-14-13-27-11-9-21(10-12-27)26-23-17-22(23)20-5-3-2-4-6-20/h2-8,15,21-23,26H,9-14,16-17H2,1H3,(H,28,29)/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369511
PNG
(US10233152, Example 49)
Show SMILES OC(=O)Cc1ccc(OCCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C25H32N2O3/c28-25(29)17-19-7-9-22(10-8-19)30-16-4-13-27-14-11-21(12-15-27)26-24-18-23(24)20-5-2-1-3-6-20/h1-3,5-10,21,23-24,26H,4,11-18H2,(H,28,29)/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369497
PNG
((E)-3-(4-(2-hydroxy-3-(4-(((1R,2S)-2-phenylcyclopr...)
Show SMILES COC(=O)\C=C\c1ccc(OCC(O)CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H34N2O4/c1-32-27(31)12-9-20-7-10-24(11-8-20)33-19-23(30)18-29-15-13-22(14-16-29)28-26-17-25(26)21-5-3-2-4-6-21/h2-12,22-23,25-26,28,30H,13-19H2,1H3/b12-9+/t23?,25-,26+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369638
PNG
(US10233152, Example 145)
Show SMILES O=C(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C23H29N3O3S/c27-23(25-30(28,29)20-9-5-2-6-10-20)13-16-26-14-11-19(12-15-26)24-22-17-21(22)18-7-3-1-4-8-18/h1-10,19,21-22,24H,11-17H2,(H,25,27)/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369572
PNG
(US10233152, Example 87)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C24H31N3O4S/c1-32(29,30)26-24(28)19-7-9-21(10-8-19)31-16-15-27-13-11-20(12-14-27)25-23-17-22(23)18-5-3-2-4-6-18/h2-10,20,22-23,25H,11-17H2,1H3,(H,26,28)/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369494
PNG
(US10233152, Example 32)
Show SMILES CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1/C23H31N3/c1-25(21-10-6-3-7-11-21)16-17-26-14-12-20(13-15-26)24-23-18-22(23)19-8-4-2-5-9-19/h2-11,20,22-24H,12-18H2,1H3/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369564
PNG
(US10233152, Example 80)
Show SMILES C(CN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)Oc1ccc(cc1)N1CCNCC1
Show InChI InChI=1/C25H34N4O/c1-2-4-21(5-3-1)24-16-25(24)27-17-20-18-28(19-20)14-15-30-23-8-6-22(7-9-23)29-12-10-26-11-13-29/h1-9,20,24-27H,10-19H2/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369500
PNG
(1-methyl-3-(2-(4-(((1R,2S)-2-phenylcyclopropyl)ami...)
Show SMILES O=C1N(CCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1/C24H27N3O2/c28-23-19-8-4-5-9-20(19)24(29)27(23)15-14-26-12-10-18(11-13-26)25-22-16-21(22)17-6-2-1-3-7-17/h1-9,18,21-22,25H,10-16H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369566
PNG
(US10233152, Example 81)
Show SMILES CN1CCN(CC1)c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C26H36N4O/c1-28-11-13-30(14-12-28)23-7-9-24(10-8-23)31-16-15-29-19-21(20-29)18-27-26-17-25(26)22-5-3-2-4-6-22/h2-10,21,25-27H,11-20H2,1H3/t25-,26+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369614
PNG
(US10233152, Example 121)
Show SMILES Cn1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)n1
Show InChI InChI=1/C20H28N4O/c1-23-10-9-20(22-23)25-14-13-24-11-7-17(8-12-24)21-19-15-18(19)16-5-3-2-4-6-16/h2-6,9-10,17-19,21H,7-8,11-15H2,1H3/t18-,19+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369600
PNG
(US10233152, Example 109)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1cncnc1
Show InChI InChI=1/C20H26N4O/c1-2-4-16(5-3-1)19-12-20(19)23-17-6-8-24(9-7-17)10-11-25-18-13-21-15-22-14-18/h1-5,13-15,17,19-20,23H,6-12H2/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369473
PNG
(1-(3-Phenoxypropyl)-N-((trans)-2-phenylcyclopropyl...)
Show SMILES C(COc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C23H30N2O/c1-3-8-19(9-4-1)22-18-23(22)24-20-12-15-25(16-13-20)14-7-17-26-21-10-5-2-6-11-21/h1-6,8-11,20,22-24H,7,12-18H2/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369573
PNG
(US10233152, Example 88)
Show SMILES CCS(=O)(=O)NC(=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C25H33N3O4S/c1-2-33(30,31)27-25(29)20-8-10-22(11-9-20)32-17-16-28-14-12-21(13-15-28)26-24-18-23(24)19-6-4-3-5-7-19/h3-11,21,23-24,26H,2,12-18H2,1H3,(H,27,29)/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369501
PNG
(N-[2-[4-[[(1R, 2S)-2-phenylcyclopropyl] amino]-1-p...)
Show SMILES CC(C)S(=O)(=O)NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C19H31N3O2S/c1-15(2)25(23,24)20-10-13-22-11-8-17(9-12-22)21-19-14-18(19)16-6-4-3-5-7-16/h3-7,15,17-21H,8-14H2,1-2H3/t18-,19+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369628
PNG
(US10233152, Example 135)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1cccnc1
Show InChI InChI=1/C21H27N3O/c1-2-5-17(6-3-1)20-15-21(20)23-18-8-11-24(12-9-18)13-14-25-19-7-4-10-22-16-19/h1-7,10,16,18,20-21,23H,8-9,11-15H2/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369627
PNG
(US10233152, Example 134)
Show SMILES Fc1cc(Br)ccc1OCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C22H26BrFN2O/c23-17-6-7-22(20(24)14-17)27-13-12-26-10-8-18(9-11-26)25-21-15-19(21)16-4-2-1-3-5-16/h1-7,14,18-19,21,25H,8-13,15H2/t19-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369596
PNG
(US10233152, Example 107)
Show SMILES C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ncnc2ccccc12
Show InChI InChI=1/C24H28N4O/c1-2-6-18(7-3-1)21-16-23(21)27-19-10-12-28(13-11-19)14-15-29-24-20-8-4-5-9-22(20)25-17-26-24/h1-9,17,19,21,23,27H,10-16H2/t21-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369466
PNG
(1-phenoxy-3-[3-[[[(trans)-2-phenylcyclopropyl]amin...)
Show SMILES OC(COc1ccccc1)CN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1
Show InChI InChI=1/C22H28N2O2/c25-19(16-26-20-9-5-2-6-10-20)15-24-13-17(14-24)12-23-22-11-21(22)18-7-3-1-4-8-18/h1-10,17,19,21-23,25H,11-16H2/t19?,21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369615
PNG
(US10233152, Example 122)
Show SMILES CS(=O)(=O)NCCN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1
Show InChI InChI=1/C16H25N3O2S/c1-22(20,21)18-7-8-19-11-13(12-19)10-17-16-9-15(16)14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3/t15-,16+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369548
PNG
(US10233152, Example 71)
Show SMILES C(CN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)Oc1ccccn1
Show InChI InChI=1/C20H25N3O/c1-2-6-17(7-3-1)18-12-19(18)22-13-16-14-23(15-16)10-11-24-20-8-4-5-9-21-20/h1-9,16,18-19,22H,10-15H2/t18-,19+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369562
PNG
(US10233152, Example 79)
Show SMILES O=C1OCCCN1c1ccc(NCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C25H32N4O2/c30-25-29(12-4-14-31-25)22-9-7-21(8-10-22)26-11-13-28-17-19(18-28)16-27-24-15-23(24)20-5-2-1-3-6-20/h1-3,5-10,19,23-24,26-27H,4,11-18H2/t23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369546
PNG
(US10233152, Example 69)
Show SMILES CS(=O)(=O)NC(=O)\C=C\c1ccc(OCC(O)CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H35N3O5S/c1-36(33,34)29-27(32)12-9-20-7-10-24(11-8-20)35-19-23(31)18-30-15-13-22(14-16-30)28-26-17-25(26)21-5-3-2-4-6-21/h2-12,22-23,25-26,28,31H,13-19H2,1H3,(H,29,32)/b12-9+/t23?,25-,26+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369463
PNG
(1-anilino-3-[4-[[trans-2-phenylcyclopropyl]amino]-...)
Show SMILES OC(CNc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C23H31N3O/c27-21(16-24-19-9-5-2-6-10-19)17-26-13-11-20(12-14-26)25-23-15-22(23)18-7-3-1-4-8-18/h1-10,20-25,27H,11-17H2/t21?,22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369498
PNG
(Synthesis of Intermediate 79: tert-butyl ((1R, 2S)...)
Show SMILES FC(F)(F)C(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C16H19F3N2O/c17-16(18,19)15(22)21-8-6-12(7-9-21)20-14-10-13(14)11-4-2-1-3-5-11/h1-5,12-14,20H,6-10H2/t13-,14+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369603
PNG
(US10233152, Example 112)
Show SMILES Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)nn1
Show InChI InChI=1/C21H28N4O/c1-16-7-8-21(24-23-16)26-14-13-25-11-9-18(10-12-25)22-20-15-19(20)17-5-3-2-4-6-17/h2-8,18-20,22H,9-15H2,1H3/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369460
PNG
(US10233152, Example 1)
Show SMILES OC(COc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C23H30N2O2/c26-20(17-27-21-9-5-2-6-10-21)16-25-13-11-19(12-14-25)24-23-15-22(23)18-7-3-1-4-8-18/h1-10,19-20,22-24,26H,11-17H2/t20?,22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369612
PNG
(US10233152, Example 119)
Show SMILES COCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C17H26N2O/c1-20-12-11-19-9-7-15(8-10-19)18-17-13-16(17)14-5-3-2-4-6-14/h2-6,15-18H,7-13H2,1H3/t16-,17+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369609
PNG
(US10233152, Example 116)
Show SMILES CN(CCN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)S(C)(=O)=O
Show InChI InChI=1/C17H27N3O2S/c1-19(23(2,21)22)8-9-20-12-14(13-20)11-18-17-10-16(17)15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3/t16-,17+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369567
PNG
(US10233152, Example 82)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C27H36N4O2/c1-21(32)30-11-13-31(14-12-30)24-7-9-25(10-8-24)33-16-15-29-19-22(20-29)18-28-27-17-26(27)23-5-3-2-4-6-23/h2-10,22,26-28H,11-20H2,1H3/t26-,27+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369587
PNG
(US10233152, Example 100)
Show SMILES CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)C(C)=O
Show InChI InChI=1/C19H29N3O/c1-15(23)21(2)12-13-22-10-8-17(9-11-22)20-19-14-18(19)16-6-4-3-5-7-16/h3-7,17-20H,8-14H2,1-2H3/t18-,19+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369578
PNG
(US10233152, Example 93)
Show SMILES O=C(Cc1ccc(cc1)-c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C35H37N3O4S/c39-35(37-43(40,41)32-9-5-2-6-10-32)21-26-11-13-28(14-12-26)29-15-17-31(18-16-29)42-20-19-38-24-27(25-38)23-36-34-22-33(34)30-7-3-1-4-8-30/h1-18,27,33-34,36H,19-25H2,(H,37,39)/t33-,34+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369485
PNG
(US10233152, Example 25)
Show SMILES O=C1COCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H33N3O3/c30-26-19-31-16-15-29(26)22-6-8-23(9-7-22)32-17-14-28-12-10-21(11-13-28)27-25-18-24(25)20-4-2-1-3-5-20/h1-9,21,24-25,27H,10-19H2/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369464
PNG
(1-(N-methylanilino)-3-[4-[[trans-2-phenylcycloprop...)
Show SMILES CN(CC(O)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1/C24H33N3O/c1-26(21-10-6-3-7-11-21)17-22(28)18-27-14-12-20(13-15-27)25-24-16-23(24)19-8-4-2-5-9-19/h2-11,20,22-25,28H,12-18H2,1H3/t22?,23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369486
PNG
(US10233152, Example 26)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C28H38N4O2/c1-22(33)31-15-17-32(18-16-31)25-7-9-26(10-8-25)34-20-19-30-13-11-24(12-14-30)29-28-21-27(28)23-5-3-2-4-6-23/h2-10,24,27-29H,11-21H2,1H3/t27-,28+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369582
PNG
(US10233152, Example 97)
Show SMILES O=C1OCCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cn1
Show InChI InChI=1/C25H32N4O3/c30-25-29(11-4-15-32-25)24-8-7-21(18-26-24)31-16-14-28-12-9-20(10-13-28)27-23-17-22(23)19-5-2-1-3-6-19/h1-3,5-8,18,20,22-23,27H,4,9-17H2/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369508
PNG
(1-morpholino-3-phenyl-2-(4-(((1R,2S)-2-phenylcyclo...)
Show SMILES O=C(C(Cc1ccccc1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCOCC1
Show InChI InChI=1/C27H35N3O2/c31-27(30-15-17-32-18-16-30)26(19-21-7-3-1-4-8-21)29-13-11-23(12-14-29)28-25-20-24(25)22-9-5-2-6-10-22/h1-10,23-26,28H,11-20H2/t24-,25+,26?/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369617
PNG
(US10233152, Example 124)
Show SMILES CC(C)OCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C19H30N2O/c1-15(2)22-13-12-21-10-8-17(9-11-21)20-19-14-18(19)16-6-4-3-5-7-16/h3-7,15,17-20H,8-14H2,1-2H3/t18-,19+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369509
PNG
(1-(2-(4-bromophenoxy)ethyl)-4-(((1R,2S)-2-phenylcy...)
Show SMILES CCOC(=O)CC(CC(=O)NCCOc1ccc(Br)cc1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C24H29BrN2O4/c1-2-30-24(29)15-19(27-22-16-21(22)17-6-4-3-5-7-17)14-23(28)26-12-13-31-20-10-8-18(25)9-11-20/h3-11,19,21-22,27H,2,12-16H2,1H3,(H,26,28)/t19?,21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369568
PNG
(US10233152, Example 83)
Show SMILES CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccc(C)nc1
Show InChI InChI=1/C23H32N4/c1-18-8-9-21(17-24-18)26(2)14-15-27-12-10-20(11-13-27)25-23-16-22(23)19-6-4-3-5-7-19/h3-9,17,20,22-23,25H,10-16H2,1-2H3/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369493
PNG
(US10233152, Example 31)
Show SMILES OC(COc1ccc(CC(O)=O)cc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C25H32N2O4/c28-21(17-31-22-8-6-18(7-9-22)14-25(29)30)16-27-12-10-20(11-13-27)26-24-15-23(24)19-4-2-1-3-5-19/h1-9,20-21,23-24,26,28H,10-17H2,(H,29,30)/t21?,23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369499
PNG
(1-morpholino-2-(4-(((1R, 2S)-2-phenylcyclopropyl)a...)
Show SMILES CC(N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1/C21H31N3O2/c1-16(21(25)24-11-13-26-14-12-24)23-9-7-18(8-10-23)22-20-15-19(20)17-5-3-2-4-6-17/h2-6,16,18-20,22H,7-15H2,1H3/t16?,19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369469
PNG
(1-phenoxy-3-[(1R,5S)-6-[[(trans)-2-phenylcycloprop...)
Show SMILES C(N1C[C@@H]2C[C@H](C1)[C@H]2N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1/C22H26N2/c1-3-7-16(8-4-1)13-24-14-18-11-19(15-24)22(18)23-21-12-20(21)17-9-5-2-6-10-17/h1-10,18-23H,11-15H2/t18-,19+,20-,21+,22-/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369462
PNG
(1-(2-methoxy-3-phenoxy-propyl)-N-[trans-2-phenylcy...)
Show SMILES COC(COc1ccccc1)CN1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1/C24H32N2O2/c1-27-22(18-28-21-10-6-3-7-11-21)17-26-14-12-20(13-15-26)25-24-16-23(24)19-8-4-2-5-9-19/h2-11,20,22-25H,12-18H2,1H3/t22?,23-,24+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369487
PNG
(US10233152, Example 27)
Show SMILES O=C1CCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C26H33N3O2/c30-26-7-4-14-29(26)22-8-10-23(11-9-22)31-18-17-28-15-12-21(13-16-28)27-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-6,8-11,21,24-25,27H,4,7,12-19H2/t24-,25+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369577
PNG
(US10233152, Example 92)
Show SMILES OC(=O)c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1
Show InChI InChI=1/C22H26N2O3/c25-22(26)18-6-8-19(9-7-18)27-11-10-24-14-16(15-24)13-23-21-12-20(21)17-4-2-1-3-5-17/h1-9,16,20-21,23H,10-15H2,(H,25,26)/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369635
PNG
(US10233152, Example 142)
Show SMILES O=COc1ccncc1NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C22H28N4O2/c27-16-28-22-6-9-23-15-21(22)24-10-13-26-11-7-18(8-12-26)25-20-14-19(20)17-4-2-1-3-5-17/h1-6,9,15-16,18-20,24-25H,7-8,10-14H2/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369648
PNG
(US10233152, Example 155)
Show SMILES CCS(=O)(=O)NC(=O)CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C20H31N3O3S/c1-2-27(25,26)22-20(24)9-6-12-23-13-10-17(11-14-23)21-19-15-18(19)16-7-4-3-5-8-16/h3-5,7-8,17-19,21H,2,6,9-15H2,1H3,(H,22,24)/t18-,19+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369640
PNG
(US10233152, Example 147)
Show SMILES CCS(=O)(=O)NC(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C19H29N3O3S/c1-2-26(24,25)21-19(23)10-13-22-11-8-16(9-12-22)20-18-14-17(18)15-6-4-3-5-7-15/h3-7,16-18,20H,2,8-14H2,1H3,(H,21,23)/t17-,18+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369633
PNG
(US10233152, Example 140)
Show SMILES O=COc1ccncc1OCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C22H27N3O3/c26-16-28-21-6-9-23-15-22(21)27-13-12-25-10-7-18(8-11-25)24-20-14-19(20)17-4-2-1-3-5-17/h1-6,9,15-16,18-20,24H,7-8,10-14H2/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369646
PNG
(US10233152, Example 153)
Show SMILES OC(=O)CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C18H26N2O2/c21-18(22)7-4-10-20-11-8-15(9-12-20)19-17-13-16(17)14-5-2-1-3-6-14/h1-3,5-6,15-17,19H,4,7-13H2,(H,21,22)/t16-,17+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369636
PNG
(US10233152, Example 143)
Show SMILES CS(=O)(=O)NC(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C18H27N3O3S/c1-25(23,24)20-18(22)9-12-21-10-7-15(8-11-21)19-17-13-16(17)14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3,(H,20,22)/t16-,17+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369507
PNG
(N-phenyl-2-(4-(((1R,2S)-2-phenylcyclopropyl)amino)...)
Show SMILES O=S(=O)(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Nc1ccccc1
Show InChI InChI=1/C22H29N3O2S/c26-28(27,24-20-9-5-2-6-10-20)16-15-25-13-11-19(12-14-25)23-22-17-21(22)18-7-3-1-4-8-18/h1-10,19,21-24H,11-17H2/t21-,22+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369649
PNG
(US10233152, Example 156)
Show SMILES CS(=O)(=O)NC(=O)CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C19H29N3O3S/c1-26(24,25)21-19(23)8-5-11-22-12-9-16(10-13-22)20-18-14-17(18)15-6-3-2-4-7-15/h2-4,6-7,16-18,20H,5,8-14H2,1H3,(H,21,23)/t17-,18+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369625
PNG
(US10233152, Example 132)
Show SMILES CONC(=O)C(C)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C18H27N3O2/c1-13(18(22)20-23-2)21-10-8-15(9-11-21)19-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3,(H,20,22)/t13?,16-,17+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369632
PNG
(US10233152, Example 139)
Show SMILES OC(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C17H24N2O2/c20-17(21)8-11-19-9-6-14(7-10-19)18-16-12-15(16)13-4-2-1-3-5-13/h1-5,14-16,18H,6-12H2,(H,20,21)/t15-,16+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369620
PNG
(US10233152, Example 127)
Show SMILES OC(=O)c1ccnc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1
Show InChI InChI=1/C22H27N3O3/c26-22(27)17-6-9-23-21(14-17)28-13-12-25-10-7-18(8-11-25)24-20-15-19(20)16-4-2-1-3-5-16/h1-6,9,14,18-20,24H,7-8,10-13,15H2,(H,26,27)/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369588
PNG
(US10233152, Example 101)
Show SMILES Cc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cn1
Show InChI InChI=1/C21H27N3O/c1-16-7-8-19(13-22-16)25-10-9-24-14-17(15-24)12-23-21-11-20(21)18-5-3-2-4-6-18/h2-8,13,17,20-21,23H,9-12,14-15H2,1H3/t20-,21+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369584
PNG
(US10233152, Example 99)
Show SMILES CN([C@@H]1C[C@H]1c1ccccc1)C1CCN(CCOc2ccc(C)nc2)CC1
Show InChI InChI=1/C23H31N3O/c1-18-8-9-21(17-24-18)27-15-14-26-12-10-20(11-13-26)25(2)23-16-22(23)19-6-4-3-5-7-19/h3-9,17,20,22-23H,10-16H2,1-2H3/t22-,23+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369647
PNG
(US10233152, Example 154)
Show SMILES O=C(CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)NS(=O)(=O)C1CC1
Show InChI InChI=1/C21H31N3O3S/c25-21(23-28(26,27)18-8-9-18)7-4-12-24-13-10-17(11-14-24)22-20-15-19(20)16-5-2-1-3-6-16/h1-3,5-6,17-20,22H,4,7-15H2,(H,23,25)/t19-,20+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369581
PNG
(US10233152, Example 96)
Show SMILES CN([C@@H]1C[C@H]1c1ccccc1)C1CCN(CCOc2ccc(cc2)N2CCCOC2=O)CC1
Show InChI InChI=1/C27H35N3O3/c1-28(26-20-25(26)21-6-3-2-4-7-21)22-12-15-29(16-13-22)17-19-32-24-10-8-23(9-11-24)30-14-5-18-33-27(30)31/h2-4,6-11,22,25-26H,5,12-20H2,1H3/t25-,26+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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


(Homo sapiens (Human))
BDBM369611
PNG
(US10233152, Example 118)
Show SMILES CC(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCN(CCOc2ccc(cc2)N2CCCOC2=O)CC1
Show InChI InChI=1/C28H35N3O4/c1-21(32)31(27-20-26(27)22-6-3-2-4-7-22)24-12-15-29(16-13-24)17-19-34-25-10-8-23(9-11-25)30-14-5-18-35-28(30)33/h2-4,6-11,24,26-27H,5,12-20H2,1H3/t26-,27+/s2
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MIRATI THERAPEUTICS, INC.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10233152 (2019)

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