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Patent code US10059668

Compile Data Set for Download or QSAR
Found 41 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))
BDBM270491
PNG
(US10059668, Example 55)
Show SMILES CN(C(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H33N3O3S/c1-27(32(2,30)31)25(29)22-10-8-20(9-11-22)18-28-14-12-19(13-15-28)17-26-24-16-23(24)21-6-4-3-5-7-21/h3-11,19,23-24,26H,12-18H2,1-2H3/t23-,24+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270481
PNG
(US10059668, Example 44)
Show SMILES CONC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-28-25-23(27)19-9-7-17(8-10-19)16-26-13-11-20(12-14-26)24-22-15-21(22)18-5-3-2-4-6-18/h2-10,20-22,24H,11-16H2,1H3,(H,25,27)/t21-,22+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270475
PNG
(US10059668, Example 38)
Show SMILES O=C(Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33N3O3S/c33-29(31-36(34,35)26-9-5-2-6-10-26)19-22-11-13-23(14-12-22)21-32-17-15-25(16-18-32)30-28-20-27(28)24-7-3-1-4-8-24/h1-14,25,27-28,30H,15-21H2,(H,31,33)/t27-,28+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270453
PNG
(US10059668, Example 16)
Show SMILES CN(C(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H33N3O3S/c1-28(33(2,31)32)26(30)13-12-20-8-10-21(11-9-20)19-29-16-14-23(15-17-29)27-25-18-24(25)22-6-4-3-5-7-22/h3-13,23-25,27H,14-19H2,1-2H3/b13-12+/t24-,25+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270464
PNG
(US10059668, Example 27 | US10059668, Example 37)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C28H31N3O3S/c32-28(30-35(33,34)25-9-5-2-6-10-25)23-13-11-21(12-14-23)20-31-17-15-24(16-18-31)29-27-19-26(27)22-7-3-1-4-8-22/h1-14,24,26-27,29H,15-20H2,(H,30,32)/t26-,27+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270488
PNG
(US10059668, Example 52)
Show SMILES CN(C(=O)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H35N3O3S/c1-29(34(2,32)33)27(31)13-12-21-8-10-23(11-9-21)20-30-16-14-22(15-17-30)19-28-26-18-25(26)24-6-4-3-5-7-24/h3-13,22,25-26,28H,14-20H2,1-2H3/b13-12+/t25-,26+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270490
PNG
(US10059668, Example 54)
Show SMILES O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C26H33N3O3S/c30-26(28-33(31,32)23-10-11-23)22-8-6-20(7-9-22)18-29-14-12-19(13-15-29)17-27-25-16-24(25)21-4-2-1-3-5-21/h1-9,19,23-25,27H,10-18H2,(H,28,30)/t24-,25+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270443
PNG
(US10059668, Example 6)
Show SMILES O=C(NOCc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C31H35N3O2/c35-31(33-36-23-26-7-3-1-4-8-26)16-15-24-11-13-25(14-12-24)22-34-19-17-28(18-20-34)32-30-21-29(30)27-9-5-2-6-10-27/h1-16,28-30,32H,17-23H2,(H,33,35)/b16-15+/t29-,30+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270442
PNG
(US10059668, Example 5)
Show SMILES O=C(NOc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C30H33N3O2/c34-30(32-35-27-9-5-2-6-10-27)16-15-23-11-13-24(14-12-23)22-33-19-17-26(18-20-33)31-29-21-28(29)25-7-3-1-4-8-25/h1-16,26,28-29,31H,17-22H2,(H,32,34)/b16-15+/t28-,29+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270487
PNG
(US10059668, Example 51)
Show SMILES O=C(NS(=O)(=O)C1CC1)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H35N3O3S/c32-28(30-35(33,34)25-11-12-25)13-10-21-6-8-23(9-7-21)20-31-16-14-22(15-17-31)19-29-27-18-26(27)24-4-2-1-3-5-24/h1-10,13,22,25-27,29H,11-12,14-20H2,(H,30,32)/b13-10+/t26-,27+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270461
PNG
(US10059668, Example 24)
Show SMILES O=C(NOc1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C28H31N3O2/c32-28(30-33-25-9-5-2-6-10-25)23-13-11-21(12-14-23)20-31-17-15-24(16-18-31)29-27-19-26(27)22-7-3-1-4-8-22/h1-14,24,26-27,29H,15-20H2,(H,30,32)/t26-,27+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270463
PNG
(US10059668, Example 26)
Show SMILES CN(C(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H31N3O3S/c1-26(31(2,29)30)24(28)20-10-8-18(9-11-20)17-27-14-12-21(13-15-27)25-23-16-22(23)19-6-4-3-5-7-19/h3-11,21-23,25H,12-17H2,1-2H3/t22-,23+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270484
PNG
(US10059668, Example 47)
Show SMILES CC(C)S(=O)(=O)NC(=O)Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C26H35N3O3S/c1-19(2)33(31,32)28-26(30)16-20-8-10-21(11-9-20)18-29-14-12-23(13-15-29)27-25-17-24(25)22-6-4-3-5-7-22/h3-11,19,23-25,27H,12-18H2,1-2H3,(H,28,30)/t24-,25+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270482
PNG
(US10059668, Example 45)
Show SMILES CCONC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C24H31N3O2/c1-2-29-26-24(28)20-10-8-18(9-11-20)17-27-14-12-21(13-15-27)25-23-16-22(23)19-6-4-3-5-7-19/h3-11,21-23,25H,2,12-17H2,1H3,(H,26,28)/t22-,23+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270467
PNG
(US10059668, Example 30 | US10059668, Example 42)
Show SMILES CCS(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C24H31N3O3S/c1-2-31(29,30)26-24(28)20-10-8-18(9-11-20)17-27-14-12-21(13-15-27)25-23-16-22(23)19-6-4-3-5-7-19/h3-11,21-23,25H,2,12-17H2,1H3,(H,26,28)/t22-,23+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270460
PNG
(US10059668, Example 23)
Show SMILES O=C(NOCc1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C29H33N3O2/c33-29(31-34-21-23-7-3-1-4-8-23)25-13-11-22(12-14-25)20-32-17-15-26(16-18-32)30-28-19-27(28)24-9-5-2-6-10-24/h1-14,26-28,30H,15-21H2,(H,31,33)/t27-,28+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270456
PNG
(US10059668, Example 19)
Show SMILES CCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C26H33N3O3S/c1-2-33(31,32)28-26(30)13-12-20-8-10-21(11-9-20)19-29-16-14-23(15-17-29)27-25-18-24(25)22-6-4-3-5-7-22/h3-13,23-25,27H,2,14-19H2,1H3,(H,28,30)/b13-12+/t24-,25+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270446
PNG
(US10059668, Example 9)
Show SMILES O=C(NOCc1ccccc1)\C=C\c1cccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1
Show InChI InChI=1S/C31H35N3O2/c35-31(33-36-23-25-8-3-1-4-9-25)15-14-24-10-7-11-26(20-24)22-34-18-16-28(17-19-34)32-30-21-29(30)27-12-5-2-6-13-27/h1-15,20,28-30,32H,16-19,21-23H2,(H,33,35)/b15-14+/t29-,30+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270486
PNG
(US10059668, Example 50)
Show SMILES CCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H35N3O3S/c1-2-34(32,33)29-27(31)13-12-21-8-10-23(11-9-21)20-30-16-14-22(15-17-30)19-28-26-18-25(26)24-6-4-3-5-7-24/h3-13,22,25-26,28H,2,14-20H2,1H3,(H,29,31)/b13-12+/t25-,26+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270466
PNG
(US10059668, Example 29 | US10059668, Example 40)
Show SMILES CCCS(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O3S/c1-2-16-32(30,31)27-25(29)21-10-8-19(9-11-21)18-28-14-12-22(13-15-28)26-24-17-23(24)20-6-4-3-5-7-20/h3-11,22-24,26H,2,12-18H2,1H3,(H,27,29)/t23-,24+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270448
PNG
(US10059668, Example 11)
Show SMILES O=C(NS(=O)(=O)Cc1ccccc1)\C=C\c1cccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1
Show InChI InChI=1S/C31H35N3O3S/c35-31(33-38(36,37)23-25-8-3-1-4-9-25)15-14-24-10-7-11-26(20-24)22-34-18-16-28(17-19-34)32-30-21-29(30)27-12-5-2-6-13-27/h1-15,20,28-30,32H,16-19,21-23H2,(H,33,35)/b15-14+/t29-,30+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270476
PNG
(US10059668, Example 39)
Show SMILES O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C25H31N3O3S/c29-25(27-32(30,31)22-10-11-22)20-8-6-18(7-9-20)17-28-14-12-21(13-15-28)26-24-16-23(24)19-4-2-1-3-5-19/h1-9,21-24,26H,10-17H2,(H,27,29)/t23-,24+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270444
PNG
(US10059668, Example 7)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C30H33N3O3S/c34-30(32-37(35,36)27-9-5-2-6-10-27)16-15-23-11-13-24(14-12-23)22-33-19-17-26(18-20-33)31-29-21-28(29)25-7-3-1-4-8-25/h1-16,26,28-29,31H,17-22H2,(H,32,34)/b16-15+/t28-,29+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270445
PNG
(US10059668, Example 8)
Show SMILES O=C(NS(=O)(=O)Cc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C31H35N3O3S/c35-31(33-38(36,37)23-26-7-3-1-4-8-26)16-15-24-11-13-25(14-12-24)22-34-19-17-28(18-20-34)32-30-21-29(30)27-9-5-2-6-10-27/h1-16,28-30,32H,17-23H2,(H,33,35)/b16-15+/t29-,30+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270483
PNG
(US10059668, Example 46)
Show SMILES CCS(=O)(=O)NC(=O)Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O3S/c1-2-32(30,31)27-25(29)16-19-8-10-20(11-9-19)18-28-14-12-22(13-15-28)26-24-17-23(24)21-6-4-3-5-7-21/h3-11,22-24,26H,2,12-18H2,1H3,(H,27,29)/t23-,24+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270447
PNG
(US10059668, Example 10)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)\C=C\c1cccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1
Show InChI InChI=1S/C30H33N3O3S/c34-30(32-37(35,36)27-12-5-2-6-13-27)15-14-23-8-7-9-24(20-23)22-33-18-16-26(17-19-33)31-29-21-28(29)25-10-3-1-4-11-25/h1-15,20,26,28-29,31H,16-19,21-22H2,(H,32,34)/b15-14+/t28-,29+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270465
PNG
(US10059668, Example 28 | US10059668, Example 36)
Show SMILES CC(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O3S/c1-18(2)32(30,31)27-25(29)21-10-8-19(9-11-21)17-28-14-12-22(13-15-28)26-24-16-23(24)20-6-4-3-5-7-20/h3-11,18,22-24,26H,12-17H2,1-2H3,(H,27,29)/t23-,24+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270457
PNG
(US10059668, Example 20)
Show SMILES CCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2CC2c2ccccc2)cc1
Show InChI InChI=1S/C26H33N3O3S/c1-2-33(31,32)28-26(30)13-12-20-8-10-21(11-9-20)19-29-16-14-23(15-17-29)27-25-18-24(25)22-6-4-3-5-7-22/h3-13,23-25,27H,2,14-19H2,1H3,(H,28,30)/b13-12+/t24?,25-/m1/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270492
PNG
(US10059668, Example 56)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H33N3O3S/c33-29(31-36(34,35)26-9-5-2-6-10-26)25-13-11-23(12-14-25)21-32-17-15-22(16-18-32)20-30-28-19-27(28)24-7-3-1-4-8-24/h1-14,22,27-28,30H,15-21H2,(H,31,33)/t27-,28+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270462
PNG
(US10059668, Example 25)
Show SMILES O=C(NS(=O)(=O)Cc1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C29H33N3O3S/c33-29(31-36(34,35)21-23-7-3-1-4-8-23)25-13-11-22(12-14-25)20-32-17-15-26(16-18-32)30-28-19-27(28)24-9-5-2-6-10-24/h1-14,26-28,30H,15-21H2,(H,31,33)/t27-,28+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270454
PNG
(US10059668, Example 17)
Show SMILES CC(C)S(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C27H35N3O3S/c1-20(2)34(32,33)29-27(31)13-12-21-8-10-22(11-9-21)19-30-16-14-24(15-17-30)28-26-18-25(26)23-6-4-3-5-7-23/h3-13,20,24-26,28H,14-19H2,1-2H3,(H,29,31)/b13-12+/t25-,26+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270455
PNG
(US10059668, Example 18)
Show SMILES CCCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C27H35N3O3S/c1-2-18-34(32,33)29-27(31)13-12-21-8-10-22(11-9-21)20-30-16-14-24(15-17-30)28-26-19-25(26)23-6-4-3-5-7-23/h3-13,24-26,28H,2,14-20H2,1H3,(H,29,31)/b13-12+/t25-,26+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270464
PNG
(US10059668, Example 27 | US10059668, Example 37)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C28H31N3O3S/c32-28(30-35(33,34)25-9-5-2-6-10-25)23-13-11-21(12-14-23)20-31-17-15-24(16-18-31)29-27-19-26(27)22-7-3-1-4-8-22/h1-14,24,26-27,29H,15-20H2,(H,30,32)/t26-,27+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270470
PNG
(US10059668, Example 33)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C28H30FN3O3S/c29-23-10-12-25(13-11-23)36(34,35)31-28(33)22-8-6-20(7-9-22)19-32-16-14-24(15-17-32)30-27-18-26(27)21-4-2-1-3-5-21/h1-13,24,26-27,30H,14-19H2,(H,31,33)/t26-,27+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270468
PNG
(US10059668, Example 31 | US10059668, Example 41)
Show SMILES CC(C)(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C26H35N3O3S/c1-26(2,3)33(31,32)28-25(30)21-11-9-19(10-12-21)18-29-15-13-22(14-16-29)27-24-17-23(24)20-7-5-4-6-8-20/h4-12,22-24,27H,13-18H2,1-3H3,(H,28,30)/t23-,24+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270465
PNG
(US10059668, Example 28 | US10059668, Example 36)
Show SMILES CC(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O3S/c1-18(2)32(30,31)27-25(29)21-10-8-19(9-11-21)17-28-14-12-22(13-15-28)26-24-16-23(24)20-6-4-3-5-7-20/h3-11,18,22-24,26H,12-17H2,1-2H3,(H,27,29)/t23-,24+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270466
PNG
(US10059668, Example 29 | US10059668, Example 40)
Show SMILES CCCS(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O3S/c1-2-16-32(30,31)27-25(29)21-10-8-19(9-11-21)18-28-14-12-22(13-15-28)26-24-17-23(24)20-6-4-3-5-7-20/h3-11,22-24,26H,2,12-18H2,1H3,(H,27,29)/t23-,24+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270469
PNG
(US10059668, Example 32)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C29H33N3O3S/c1-21-7-13-26(14-8-21)36(34,35)31-29(33)24-11-9-22(10-12-24)20-32-17-15-25(16-18-32)30-28-19-27(28)23-5-3-2-4-6-23/h2-14,25,27-28,30H,15-20H2,1H3,(H,31,33)/t27-,28+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270467
PNG
(US10059668, Example 30 | US10059668, Example 42)
Show SMILES CCS(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C24H31N3O3S/c1-2-31(29,30)26-24(28)20-10-8-18(9-11-20)17-27-14-12-21(13-15-27)25-23-16-22(23)19-6-4-3-5-7-19/h3-11,21-23,25H,2,12-17H2,1H3,(H,26,28)/t22-,23+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270466
PNG
(US10059668, Example 29 | US10059668, Example 40)
Show SMILES CCCS(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O3S/c1-2-16-32(30,31)27-25(29)21-10-8-19(9-11-21)18-28-14-12-22(13-15-28)26-24-17-23(24)20-6-4-3-5-7-20/h3-11,22-24,26H,2,12-18H2,1H3,(H,27,29)/t23-,24+/m0/s1
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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 US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270468
PNG
(US10059668, Example 31 | US10059668, Example 41)
Show SMILES CC(C)(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C26H35N3O3S/c1-26(2,3)33(31,32)28-25(30)21-11-9-19(10-12-21)18-29-15-13-22(14-16-29)27-24-17-23(24)20-7-5-4-6-8-20/h4-12,22-24,27H,13-18H2,1-3H3,(H,28,30)/t23-,24+/m0/s1
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n/an/a 144n/an/an/an/an/an/a



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 US10059668 (2018)

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Ligand-Target Pair
* indicates data uncertainty>20%