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Patent code US10266542

Compile Data Set for Download or QSAR
Found 19 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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378893
PNG
(5,8-dichloro-2-((7-methyl-5-oxo-5,6-dihydro-1H-pyr...)
Show SMILES Cc1[nH]c(=O)c(CN2CCc3c(Cl)cc(N4CC5(C4)CCOCC5)c(Cl)c3C2=O)c2CCNc12
Show InChI InChI=1S/C25H28Cl2N4O3/c1-14-22-15(2-6-28-22)17(23(32)29-14)11-30-7-3-16-18(26)10-19(21(27)20(16)24(30)33)31-12-25(13-31)4-8-34-9-5-25/h10,28H,2-9,11-13H2,1H3,(H,29,32)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378912
PNG
(5,8-dichloro-7-[methoxy(oxetan-3-yl)methyl]-2-[(7-...)
Show SMILES COC(C1COC1)c1cc(Cl)c2CCN(Cc3c4ccn(C)c4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1/C24H25Cl2N3O4/c1-12-21-14(4-6-28(21)2)17(23(30)27-12)9-29-7-5-15-18(25)8-16(20(26)19(15)24(29)31)22(32-3)13-10-33-11-13/h4,6,8,13,22H,5,7,9-11H2,1-3H3,(H,27,30)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378909
PNG
(5,8-dichloro-7-(3,5-dimethyltriazol-4-yl)-2-[(7-me...)
Show SMILES Cc1nnn(C)c1-c1cc(Cl)c2CCN(Cc3c4cc[nH]c4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C22H20Cl2N6O2/c1-10-19-12(4-6-25-19)15(21(31)26-10)9-30-7-5-13-16(23)8-14(18(24)17(13)22(30)32)20-11(2)27-28-29(20)3/h4,6,8,25H,5,7,9H2,1-3H3,(H,26,31)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378907
PNG
(5,8-dichloro-7-(3,5-dimethylisoxazol-4-yl)-2-((7-m...)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c4cc[nH]c4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C23H20Cl2N4O3/c1-10-18(12(3)32-28-10)15-8-17(24)14-5-7-29(23(31)19(14)20(15)25)9-16-13-4-6-26-21(13)11(2)27-22(16)30/h4,6,8,26H,5,7,9H2,1-3H3,(H,27,30)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378914
PNG
(5,8-dichloro-2-[(7-methyl-5-oxo-1,6-dihydropyrrolo...)
Show SMILES CC(C1COC1)c1cc(Cl)c2CCN(Cc3c4cc[nH]c4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1/C23H23Cl2N3O3/c1-11(13-9-31-10-13)16-7-18(24)15-4-6-28(23(30)19(15)20(16)25)8-17-14-3-5-26-21(14)12(2)27-22(17)29/h3,5,7,11,13,26H,4,6,8-10H2,1-2H3,(H,27,29)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378913
PNG
(7-((5,8-dichloro-7-((1,1-dioxidothietan-3-yl)(meth...)
Show SMILES COC(C1CS(=O)(=O)C1)c1cc(Cl)c2CCN(Cc3c4occc4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1/C23H22Cl2N2O6S/c1-11-13-4-6-33-21(13)16(22(28)26-11)8-27-5-3-14-17(24)7-15(19(25)18(14)23(27)29)20(32-2)12-9-34(30,31)10-12/h4,6-7,12,20H,3,5,8-10H2,1-2H3,(H,26,28)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378911
PNG
(7-((5,8-dichloro-7-(3,5-dimethylisoxazol-4-yl)-1-o...)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c4occc4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C23H19Cl2N3O4/c1-10-13-5-7-31-21(13)16(22(29)26-10)9-28-6-4-14-17(24)8-15(20(25)19(14)23(28)30)18-11(2)27-32-12(18)3/h5,7-8H,4,6,9H2,1-3H3,(H,26,29)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378899
PNG
(7-[[5-bromo-8-chloro-7-(3,5-dimethyltriazol-4-yl)-...)
Show SMILES Cc1nnn(C)c1-c1cc(Br)c2CCN(Cc3c4occc4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C22H19BrClN5O3/c1-10-12-5-7-32-20(12)15(21(30)25-10)9-29-6-4-13-16(23)8-14(18(24)17(13)22(29)31)19-11(2)26-27-28(19)3/h5,7-8H,4,6,9H2,1-3H3,(H,25,30)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378903
PNG
(7-((5,8-dichloro-7-(methoxy(oxetan-3-yl)methyl)-1-...)
Show SMILES COC(C1COC1)c1cc(Cl)c2CCN(Cc3c4occc4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1/C23H22Cl2N2O5/c1-11-13-4-6-32-21(13)16(22(28)26-11)8-27-5-3-14-17(24)7-15(19(25)18(14)23(27)29)20(30-2)12-9-31-10-12/h4,6-7,12,20H,3,5,8-10H2,1-2H3,(H,26,28)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378886
PNG
(7-((5,8-dichloro-1-oxo-7-(7-oxa-2-azaspiro[3.5]non...)
Show SMILES Cc1[nH]c(=O)c(CN2CCc3c(Cl)cc(N4CC5(C4)CCOCC5)c(Cl)c3C2=O)c2occc12
Show InChI InChI=1S/C25H25Cl2N3O4/c1-14-15-3-7-34-22(15)17(23(31)28-14)11-29-6-2-16-18(26)10-19(21(27)20(16)24(29)32)30-12-25(13-30)4-8-33-9-5-25/h3,7,10H,2,4-6,8-9,11-13H2,1H3,(H,28,31)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378891
PNG
(7-((5,8-dichloro-7-(ethyl(tetrahydro-2H-pyran-4-yl...)
Show SMILES CCN(C1CCOCC1)c1cc(Cl)c2CCN(Cc3c4occc4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C25H27Cl2N3O4/c1-3-30(15-5-9-33-10-6-15)20-12-19(26)17-4-8-29(25(32)21(17)22(20)27)13-18-23-16(7-11-34-23)14(2)28-24(18)31/h7,11-12,15H,3-6,8-10,13H2,1-2H3,(H,28,31)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378861
PNG
(7-((5,8-dichloro-7-isopropoxy-1-oxo-3,4-dihydroiso...)
Show SMILES CC(C)Oc1cc(Cl)c2CCN(Cc3c4occc4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C21H20Cl2N2O4/c1-10(2)29-16-8-15(22)13-4-6-25(21(27)17(13)18(16)23)9-14-19-12(5-7-28-19)11(3)24-20(14)26/h5,7-8,10H,4,6,9H2,1-3H3,(H,24,26)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378895
PNG
(7-((8-chloro-7-isopropoxy-1-oxo-3,4-dihydroisoquin...)
Show SMILES CC(C)Oc1ccc2CCN(Cc3c4occc4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C21H21ClN2O4/c1-11(2)28-16-5-4-13-6-8-24(21(26)17(13)18(16)22)10-15-19-14(7-9-27-19)12(3)23-20(15)25/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,23,25)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378905
PNG
(5,8-dichloro-7-(methoxy(1-methylazetidin-3-yl)meth...)
Show SMILES COC(C1CN(C)C1)c1cc(Cl)c2CCN(Cc3c4cc[nH]c4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1/C24H26Cl2N4O3/c1-12-21-14(4-6-27-21)17(23(31)28-12)11-30-7-5-15-18(25)8-16(20(26)19(15)24(30)32)22(33-3)13-9-29(2)10-13/h4,6,8,13,22,27H,5,7,9-11H2,1-3H3,(H,28,31)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378908
PNG
(7-((5,8-dichloro-7-(1,4-dimethyl-1H-1,2,3-triazol-...)
Show SMILES Cc1nnn(C)c1-c1cc(Cl)c2CCN(Cc3c4cc[nH]c4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C22H20Cl2N6O2/c1-10-19-12(4-6-25-19)15(21(31)26-10)9-30-7-5-13-16(23)8-14(18(24)17(13)22(30)32)20-11(2)27-28-29(20)3/h4,6,8,25H,5,7,9H2,1-3H3,(H,26,31)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378904
PNG
(7-((5,8-dichloro-7-(methoxy(1-methylazetidin-3-yl)...)
Show SMILES COC(C1CNC1)c1cc(Cl)c2CCN(Cc3c4occc4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1/C23H23Cl2N3O4/c1-11-13-4-6-32-21(13)16(22(29)27-11)10-28-5-3-14-17(24)7-15(19(25)18(14)23(28)30)20(31-2)12-8-26-9-12/h4,6-7,12,20,26H,3,5,8-10H2,1-2H3,(H,27,29)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378905
PNG
(5,8-dichloro-7-(methoxy(1-methylazetidin-3-yl)meth...)
Show SMILES COC(C1CN(C)C1)c1cc(Cl)c2CCN(Cc3c4cc[nH]c4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1/C24H26Cl2N4O3/c1-12-21-14(4-6-27-21)17(23(31)28-12)11-30-7-5-15-18(25)8-16(20(26)19(15)24(30)32)22(33-3)13-9-29(2)10-13/h4,6,8,13,22,27H,5,7,9-11H2,1-3H3,(H,28,31)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378901
PNG
(7-((5,8-dichloro-7-isopropoxy-1-oxo-3,4-dihydroiso...)
Show SMILES CC(C)Oc1cc(Cl)c2CCN(Cc3c4oc(C)cc4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C22H22Cl2N2O4/c1-10(2)29-17-8-16(23)13-5-6-26(22(28)18(13)19(17)24)9-15-20-14(7-11(3)30-20)12(4)25-21(15)27/h7-8,10H,5-6,9H2,1-4H3,(H,25,27)
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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM378892
PNG
(5,8-dichloro-7-isopropoxy-2-((7-methyl-5-oxo-5,6-d...)
Show SMILES CC(C)Oc1cc(Cl)c2CCN(Cc3c4cc[nH]c4c(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C21H21Cl2N3O3/c1-10(2)29-16-8-15(22)13-5-7-26(21(28)17(13)18(16)23)9-14-12-4-6-24-19(12)11(3)25-20(14)27/h4,6,8,10,24H,5,7,9H2,1-3H3,(H,25,27)
PDB

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Mirati Therapeutics, Inc.

US Patent


Assay Description
Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a TranscreenerŽ EPIGEN Methyltransferase HTS assay us...


US Patent US10266542 (2019)

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