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Compile Data Set for Download or QSAR

Found 391 hits Enz. Inhib. hit(s) with all data for entry = 1480   
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))
BDBM326114
PNG
(US10273223, Compound D-12 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Br)cc3n(ncc23)C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)[nH]1
Show InChI InChI=1S/C26H32BrN5O4/c1-15-10-16(2)30-24(34)20(15)13-28-23(33)19-11-17(27)12-22-21(19)14-29-32(22)18-6-8-31(9-7-18)25(35)36-26(3,4)5/h10-12,14,18H,6-9,13H2,1-5H3,(H,28,33)(H,30,34)
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n/an/a<300n/an/an/an/an/an/a



Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326115
PNG
(US10273223, Compound D-13 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Br)cc3n(ncc23)C2CCN(CC2)C(=O)C(C)(C)C)c(=O)[nH]1
Show InChI InChI=1S/C26H32BrN5O3/c1-15-10-16(2)30-24(34)20(15)13-28-23(33)19-11-17(27)12-22-21(19)14-29-32(22)18-6-8-31(9-7-18)25(35)26(3,4)5/h10-12,14,18H,6-9,13H2,1-5H3,(H,28,33)(H,30,34)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326116
PNG
(US10273223, Compound D-14 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Br)cc3n(ncc23)C2CCN(CC2)C(=O)C2CNC2)c(=O)[nH]1
Show InChI InChI=1S/C25H29BrN6O3/c1-14-7-15(2)30-24(34)20(14)12-28-23(33)19-8-17(26)9-22-21(19)13-29-32(22)18-3-5-31(6-4-18)25(35)16-10-27-11-16/h7-9,13,16,18,27H,3-6,10-12H2,1-2H3,(H,28,33)(H,30,34)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326118
PNG
(US10273223, Compound D-16 | US9637472, Compound D-...)
Show SMILES CN1CCC(CC1)N1CCC(CC1)n1ncc2c(cc(Br)cc12)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C27H35BrN6O2/c1-17-12-18(2)31-27(36)23(17)15-29-26(35)22-13-19(28)14-25-24(22)16-30-34(25)21-6-10-33(11-7-21)20-4-8-32(3)9-5-20/h12-14,16,20-21H,4-11,15H2,1-3H3,(H,29,35)(H,31,36)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326119
PNG
(US10273223, Compound D-17 | US9637472, Compound D-...)
Show SMILES CN(C)Cc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)cc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C23H28BrN5O2/c1-14-8-15(13-28(2)3)19(23(31)27-14)11-25-22(30)18-9-16(24)10-21-20(18)12-26-29(21)17-6-4-5-7-17/h8-10,12,17H,4-7,11,13H2,1-3H3,(H,25,30)(H,27,31)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326120
PNG
(US10273223, Compound D-18 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)N2CCN(CC2)C(=O)C2CCNCC2)c(=O)[nH]1
Show InChI InChI=1S/C31H41N7O3/c1-20-15-21(2)35-30(40)26(20)18-33-29(39)25-16-24(17-28-27(25)19-34-38(28)23-5-3-4-6-23)36-11-13-37(14-12-36)31(41)22-7-9-32-10-8-22/h15-17,19,22-23,32H,3-14,18H2,1-2H3,(H,33,39)(H,35,40)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326125
PNG
(US10273223, Compound D-23 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCN(CC2)C(=O)C(C)(C)C)C(F)(F)F)c(=O)[nH]1
Show InChI InChI=1S/C27H32F3N5O3/c1-15-10-16(2)33-24(37)20(15)13-31-23(36)19-11-17(27(28,29)30)12-22-21(19)14-32-35(22)18-6-8-34(9-7-18)25(38)26(3,4)5/h10-12,14,18H,6-9,13H2,1-5H3,(H,31,36)(H,33,37)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326126
PNG
(US10273223, Compound D-24 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Cl)cc3n(ncc23)C2CCN(CC2)C(=O)C(C)(C)C)c(=O)[nH]1
Show InChI InChI=1S/C26H32ClN5O3/c1-15-10-16(2)30-24(34)20(15)13-28-23(33)19-11-17(27)12-22-21(19)14-29-32(22)18-6-8-31(9-7-18)25(35)26(3,4)5/h10-12,14,18H,6-9,13H2,1-5H3,(H,28,33)(H,30,34)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326127
PNG
(US10273223, Compound D-25 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCN(CC2)C(=O)C(C)(C)C)C2=CC(C)(C)NC(C)(C)C2)c(=O)[nH]1
Show InChI InChI=1S/C35H48N6O3/c1-21-14-22(2)38-31(43)27(21)19-36-30(42)26-15-23(24-17-34(6,7)39-35(8,9)18-24)16-29-28(26)20-37-41(29)25-10-12-40(13-11-25)32(44)33(3,4)5/h14-17,20,25,39H,10-13,18-19H2,1-9H3,(H,36,42)(H,38,43)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326132
PNG
(US10273223, Compound D-30 | US9637472, Compound D-...)
Show SMILES CN(C)CCCN1CCC(CC1)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C3CCCC3)c2c1
Show InChI InChI=1S/C31H44N6O2/c1-21-16-22(2)34-31(39)27(21)19-32-30(38)26-17-24(23-10-14-36(15-11-23)13-7-12-35(3)4)18-29-28(26)20-33-37(29)25-8-5-6-9-25/h16-18,20,23,25H,5-15,19H2,1-4H3,(H,32,38)(H,34,39)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326135
PNG
(US10273223, Compound D-33 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Br)cc3n(ncc23)C2CCN(C2)C(=O)C(C)(C)C)c(=O)[nH]1
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326139
PNG
(US10273223, Compound D-37 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)C2=CCN(CC2)C(=O)C2CNC2)c(=O)[nH]1
Show InChI InChI=1S/C30H36N6O3/c1-18-11-19(2)34-29(38)25(18)16-32-28(37)24-12-21(13-27-26(24)17-33-36(27)23-5-3-4-6-23)20-7-9-35(10-8-20)30(39)22-14-31-15-22/h7,11-13,17,22-23,31H,3-6,8-10,14-16H2,1-2H3,(H,32,37)(H,34,38)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326140
PNG
(US10273223, Compound D-38 | US9637472, Compound D-...)
Show SMILES CN(C)CC(=O)N1CCC(=CC1)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C3CCCC3)c2c1
Show InChI InChI=1S/C30H38N6O3/c1-19-13-20(2)33-30(39)25(19)16-31-29(38)24-14-22(21-9-11-35(12-10-21)28(37)18-34(3)4)15-27-26(24)17-32-36(27)23-7-5-6-8-23/h9,13-15,17,23H,5-8,10-12,16,18H2,1-4H3,(H,31,38)(H,33,39)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326141
PNG
(US10273223, Compound D-39 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)C2=CCN(CC2)C(=O)C2CCNCC2)c(=O)[nH]1
Show InChI InChI=1S/C32H40N6O3/c1-20-15-21(2)36-31(40)27(20)18-34-30(39)26-16-24(17-29-28(26)19-35-38(29)25-5-3-4-6-25)22-9-13-37(14-10-22)32(41)23-7-11-33-12-8-23/h9,15-17,19,23,25,33H,3-8,10-14,18H2,1-2H3,(H,34,39)(H,36,40)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326103
PNG
(US10273223, Compound D-40 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Br)cc3n(ncc23)C2CCCC2)c(=O)[nH]1
Show InChI InChI=1S/C21H23BrN4O2/c1-12-7-13(2)25-21(28)17(12)10-23-20(27)16-8-14(22)9-19-18(16)11-24-26(19)15-5-3-4-6-15/h7-9,11,15H,3-6,10H2,1-2H3,(H,23,27)(H,25,28)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326143
PNG
(US10273223, Compound D-41 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)C2=CCNCC2)c(=O)[nH]1
Show InChI InChI=1S/C26H31N5O2/c1-16-11-17(2)30-26(33)22(16)14-28-25(32)21-12-19(18-7-9-27-10-8-18)13-24-23(21)15-29-31(24)20-5-3-4-6-20/h7,11-13,15,20,27H,3-6,8-10,14H2,1-2H3,(H,28,32)(H,30,33)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326144
PNG
(US10273223, Compound D-42 | US9637472, Compound D-...)
Show SMILES CC(C)C(=O)N1CCC(CC1)n1ncc2c(cc(Br)cc12)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C25H30BrN5O3/c1-14(2)25(34)30-7-5-18(6-8-30)31-22-11-17(26)10-19(21(22)13-28-31)23(32)27-12-20-15(3)9-16(4)29-24(20)33/h9-11,13-14,18H,5-8,12H2,1-4H3,(H,27,32)(H,29,33)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326145
PNG
(US10273223, Compound D-43 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(C=O)cc3n(ncc23)C2CCCC2)c(=O)[nH]1
Show InChI InChI=1S/C22H24N4O3/c1-13-7-14(2)25-22(29)18(13)10-23-21(28)17-8-15(12-27)9-20-19(17)11-24-26(20)16-5-3-4-6-16/h7-9,11-12,16H,3-6,10H2,1-2H3,(H,23,28)(H,25,29)
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US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326146
PNG
(US10273223, Compound D-44 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)C2=CCN(CC2)C2CCNCC2)c(=O)[nH]1
Show InChI InChI=1S/C31H40N6O2/c1-20-15-21(2)35-31(39)27(20)18-33-30(38)26-16-23(17-29-28(26)19-34-37(29)25-5-3-4-6-25)22-9-13-36(14-10-22)24-7-11-32-12-8-24/h9,15-17,19,24-25,32H,3-8,10-14,18H2,1-2H3,(H,33,38)(H,35,39)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326147
PNG
(US10273223, Compound D-45 | US9637472, Compound D-...)
Show SMILES CNCC(=O)N1CCC(=CC1)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C3CCCC3)c2c1
Show InChI InChI=1S/C29H36N6O3/c1-18-12-19(2)33-29(38)24(18)15-31-28(37)23-13-21(20-8-10-34(11-9-20)27(36)17-30-3)14-26-25(23)16-32-35(26)22-6-4-5-7-22/h8,12-14,16,22,30H,4-7,9-11,15,17H2,1-3H3,(H,31,37)(H,33,38)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326148
PNG
(US10273223, Compound D-46 | US9637472, Compound D-...)
Show SMILES CN(C)CCN1CCC(CC1)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C3CCCC3)c2c1
Show InChI InChI=1S/C30H42N6O2/c1-20-15-21(2)33-30(38)26(20)18-31-29(37)25-16-23(22-9-11-35(12-10-22)14-13-34(3)4)17-28-27(25)19-32-36(28)24-7-5-6-8-24/h15-17,19,22,24H,5-14,18H2,1-4H3,(H,31,37)(H,33,38)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326149
PNG
(US10273223, Compound D-47 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)C2=CCN(CC2)C(=O)CN)c(=O)[nH]1
Show InChI InChI=1S/C28H34N6O3/c1-17-11-18(2)32-28(37)23(17)15-30-27(36)22-12-20(19-7-9-33(10-8-19)26(35)14-29)13-25-24(22)16-31-34(25)21-5-3-4-6-21/h7,11-13,16,21H,3-6,8-10,14-15,29H2,1-2H3,(H,30,36)(H,32,37)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326150
PNG
(US10273223, Compound D-48 | US9637472, Compound D-...)
Show SMILES CNCCN1CCC(=CC1)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C3CCCC3)c2c1
Show InChI InChI=1S/C29H38N6O2/c1-19-14-20(2)33-29(37)25(19)17-31-28(36)24-15-22(21-8-11-34(12-9-21)13-10-30-3)16-27-26(24)18-32-35(27)23-6-4-5-7-23/h8,14-16,18,23,30H,4-7,9-13,17H2,1-3H3,(H,31,36)(H,33,37)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326151
PNG
(US10273223, Compound D-49 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)C2=CCN(CCN)CC2)c(=O)[nH]1
Show InChI InChI=1S/C28H36N6O2/c1-18-13-19(2)32-28(36)24(18)16-30-27(35)23-14-21(20-7-10-33(11-8-20)12-9-29)15-26-25(23)17-31-34(26)22-5-3-4-6-22/h7,13-15,17,22H,3-6,8-12,16,29H2,1-2H3,(H,30,35)(H,32,36)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326152
PNG
(US9637472, Compound D-50)
Show SMILES CN1CC(C1)C(=O)N1CCC(=CC1)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C3CCCC3)c2c1
Show InChI InChI=1S/C31H38N6O3/c1-19-12-20(2)34-30(39)26(19)15-32-29(38)25-13-22(14-28-27(25)16-33-37(28)24-6-4-5-7-24)21-8-10-36(11-9-21)31(40)23-17-35(3)18-23/h8,12-14,16,23-24H,4-7,9-11,15,17-18H2,1-3H3,(H,32,38)(H,34,39)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326153
PNG
(US9637472, Compound D-51)
Show SMILES CNCCN1CCC(CC1)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C3CCCC3)c2c1
Show InChI InChI=1S/C29H40N6O2/c1-19-14-20(2)33-29(37)25(19)17-31-28(36)24-15-22(21-8-11-34(12-9-21)13-10-30-3)16-27-26(24)18-32-35(27)23-6-4-5-7-23/h14-16,18,21,23,30H,4-13,17H2,1-3H3,(H,31,36)(H,33,37)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326154
PNG
(US10273223, Compound D-52 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Br)cc3n(ncc23)C2CCN(CC2)C(=O)C2CCNCC2)c(=O)[nH]1
Show InChI InChI=1S/C27H33BrN6O3/c1-16-11-17(2)32-26(36)22(16)14-30-25(35)21-12-19(28)13-24-23(21)15-31-34(24)20-5-9-33(10-6-20)27(37)18-3-7-29-8-4-18/h11-13,15,18,20,29H,3-10,14H2,1-2H3,(H,30,35)(H,32,36)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326196
PNG
(US10273223, Compound D-95 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)C2=CCN(CCO)CC2)c(=O)[nH]1
Show InChI InChI=1S/C28H35N5O3/c1-18-13-19(2)31-28(36)24(18)16-29-27(35)23-14-21(20-7-9-32(10-8-20)11-12-34)15-26-25(23)17-30-33(26)22-5-3-4-6-22/h7,13-15,17,22,34H,3-6,8-12,16H2,1-2H3,(H,29,35)(H,31,36)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326197
PNG
(US10273223, Compound D-96 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)C2CCN(CCN)CC2)c(=O)[nH]1
Show InChI InChI=1S/C28H38N6O2/c1-18-13-19(2)32-28(36)24(18)16-30-27(35)23-14-21(20-7-10-33(11-8-20)12-9-29)15-26-25(23)17-31-34(26)22-5-3-4-6-22/h13-15,17,20,22H,3-12,16,29H2,1-2H3,(H,30,35)(H,32,36)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326198
PNG
(US10273223, Compound D-97 | US9637472, Compound D-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)C2CCN(CCO)CC2)c(=O)[nH]1
Show InChI InChI=1S/C28H37N5O3/c1-18-13-19(2)31-28(36)24(18)16-29-27(35)23-14-21(20-7-9-32(10-8-20)11-12-34)15-26-25(23)17-30-33(26)22-5-3-4-6-22/h13-15,17,20,22,34H,3-12,16H2,1-2H3,(H,29,35)(H,31,36)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM326201
PNG
(US10273223, Compound E-2 | US9637472, Compound E-2)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ccc23)C2CCCC2)-c2ccc(CN3CCOCC3)cc2)c(=O)[nH]1
Show InChI InChI=1S/C33H38N4O3/c1-22-17-23(2)35-33(39)30(22)20-34-32(38)29-18-26(19-31-28(29)11-12-37(31)27-5-3-4-6-27)25-9-7-24(8-10-25)21-36-13-15-40-16-14-36/h7-12,17-19,27H,3-6,13-16,20-21H2,1-2H3,(H,34,38)(H,35,39)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325784
PNG
(US10273223, Compound A-1 | US9637472, Compound A-1)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(nc3n(ncc23)C2CCCC2)-c2ccc(CN3CCOCC3)cc2)c(=O)[nH]1
Show InChI InChI=1S/C31H36N6O3/c1-20-15-21(2)34-31(39)26(20)17-32-30(38)25-16-28(35-29-27(25)18-33-37(29)24-5-3-4-6-24)23-9-7-22(8-10-23)19-36-11-13-40-14-12-36/h7-10,15-16,18,24H,3-6,11-14,17,19H2,1-2H3,(H,32,38)(H,34,39)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325811
PNG
(US10273223, Compound A-7 | US9637472, Compound A-7)
Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc(cc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C28H33N7O2/c1-17(2)35-26-24(16-31-35)22(27(36)30-15-23-18(3)13-19(4)32-28(23)37)14-25(33-26)20-5-7-21(8-6-20)34-11-9-29-10-12-34/h5-8,13-14,16-17,29H,9-12,15H2,1-4H3,(H,30,36)(H,32,37)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50149602
PNG
(CHEMBL3770239 | US10273223, Compound A-10 | US9637...)
Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C27H32N8O2/c1-16(2)35-25-22(15-31-35)20(26(36)30-14-21-17(3)11-18(4)32-27(21)37)12-23(33-25)19-5-6-24(29-13-19)34-9-7-28-8-10-34/h5-6,11-13,15-16,28H,7-10,14H2,1-4H3,(H,30,36)(H,32,37)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325817
PNG
(US10273223, Compound A-13 | US9637472, Compound A-...)
Show SMILES CC(C)n1ncc2c(cc(nc12)-c1cccc(c1)C(=O)NCCCN(C)C)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C30H37N7O3/c1-18(2)37-27-25(17-33-37)23(29(39)32-16-24-19(3)13-20(4)34-30(24)40)15-26(35-27)21-9-7-10-22(14-21)28(38)31-11-8-12-36(5)6/h7,9-10,13-15,17-18H,8,11-12,16H2,1-6H3,(H,31,38)(H,32,39)(H,34,40)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325818
PNG
(US10273223, Compound A-14 | US9637472, Compound A-...)
Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc(CN)cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C25H28N6O2/c1-14(2)31-23-21(13-28-31)19(10-22(30-23)18-7-5-17(11-26)6-8-18)24(32)27-12-20-15(3)9-16(4)29-25(20)33/h5-10,13-14H,11-12,26H2,1-4H3,(H,27,32)(H,29,33)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325819
PNG
(US10273223, Compound A-15 | US9637472, Compound A-...)
Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc(CN(C)CCCN(C)C)cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C31H41N7O2/c1-20(2)38-29-27(18-33-38)25(30(39)32-17-26-21(3)15-22(4)34-31(26)40)16-28(35-29)24-11-9-23(10-12-24)19-37(7)14-8-13-36(5)6/h9-12,15-16,18,20H,8,13-14,17,19H2,1-7H3,(H,32,39)(H,34,40)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325821
PNG
(US10273223, Compound A-17 | US9637472, Compound A-...)
Show SMILES CC(C)n1nc(Br)c2c(cc(nc12)-c1ccc(CN2CCOCC2)cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C29H33BrN6O3/c1-17(2)36-27-25(26(30)34-36)22(28(37)31-15-23-18(3)13-19(4)32-29(23)38)14-24(33-27)21-7-5-20(6-8-21)16-35-9-11-39-12-10-35/h5-8,13-14,17H,9-12,15-16H2,1-4H3,(H,31,37)(H,32,38)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325822
PNG
(US10273223, Compound A-18 | US9637472, Compound A-...)
Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc(cc1)C(=O)NCCN(C)C)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C29H35N7O3/c1-17(2)36-26-24(16-32-36)22(28(38)31-15-23-18(3)13-19(4)33-29(23)39)14-25(34-26)20-7-9-21(10-8-20)27(37)30-11-12-35(5)6/h7-10,13-14,16-17H,11-12,15H2,1-6H3,(H,30,37)(H,31,38)(H,33,39)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325907
PNG
(US10273223, Compound B-1 | US9637472, Compound B-1)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(nc3n(ncc23)C2CCN(Cc3ccccc3)CC2)C2=CC(C)(C)NC(C)(C)C2)c(=O)[nH]1
Show InChI InChI=1S/C36H45N7O2/c1-23-16-24(2)39-34(45)29(23)20-37-33(44)28-17-31(26-18-35(3,4)41-36(5,6)19-26)40-32-30(28)21-38-43(32)27-12-14-42(15-13-27)22-25-10-8-7-9-11-25/h7-11,16-18,21,27,41H,12-15,19-20,22H2,1-6H3,(H,37,44)(H,39,45)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325910
PNG
(US10273223, Compound B-5 | US9637472, Compound B-4...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(nc3n(ncc23)C2CCCC2)C2=CC(C)(C)NC(C)(C)C2)c(=O)[nH]1
Show InChI InChI=1S/C29H38N6O2/c1-17-11-18(2)32-27(37)22(17)15-30-26(36)21-12-24(19-13-28(3,4)34-29(5,6)14-19)33-25-23(21)16-31-35(25)20-9-7-8-10-20/h11-13,16,20,34H,7-10,14-15H2,1-6H3,(H,30,36)(H,32,37)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325910
PNG
(US10273223, Compound B-5 | US9637472, Compound B-4...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(nc3n(ncc23)C2CCCC2)C2=CC(C)(C)NC(C)(C)C2)c(=O)[nH]1
Show InChI InChI=1S/C29H38N6O2/c1-17-11-18(2)32-27(37)22(17)15-30-26(36)21-12-24(19-13-28(3,4)34-29(5,6)14-19)33-25-23(21)16-31-35(25)20-9-7-8-10-20/h11-13,16,20,34H,7-10,14-15H2,1-6H3,(H,30,36)(H,32,37)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325914
PNG
(US10273223, Compound B-8 | US9637472, Compound B-8)
Show SMILES CC(C)n1ncc2c(cc(nc12)C1CCN(CC1)C(=O)C1CN(C)C1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C28H37N7O3/c1-16(2)35-25-23(13-30-35)21(26(36)29-12-22-17(3)10-18(4)31-27(22)37)11-24(32-25)19-6-8-34(9-7-19)28(38)20-14-33(5)15-20/h10-11,13,16,19-20H,6-9,12,14-15H2,1-5H3,(H,29,36)(H,31,37)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325922
PNG
(US10273223, Compound B-16 | US9637472, Compound B-...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(nc3n(ncc23)C2CCCCC2)C2=CC(C)(C)NC(C)(C)C2)c(=O)[nH]1
Show InChI InChI=1S/C30H40N6O2/c1-18-12-19(2)33-28(38)23(18)16-31-27(37)22-13-25(20-14-29(3,4)35-30(5,6)15-20)34-26-24(22)17-32-36(26)21-10-8-7-9-11-21/h12-14,17,21,35H,7-11,15-16H2,1-6H3,(H,31,37)(H,33,38)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325926
PNG
(US10273223, Compound B-20 | US9637472, Compound B-...)
Show SMILES CC(C)n1ncc2c(cc(nc12)C1=CCN(CC1)C(=O)C1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C29H37N7O3/c1-17(2)36-26-24(16-32-36)22(27(37)31-15-23-18(3)13-19(4)33-28(23)38)14-25(34-26)20-7-11-35(12-8-20)29(39)21-5-9-30-10-6-21/h7,13-14,16-17,21,30H,5-6,8-12,15H2,1-4H3,(H,31,37)(H,33,38)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325928
PNG
(US10273223, Compound B-22 | US9637472, Compound B-...)
Show SMILES CC(C)n1ncc2c(cc(C=O)nc12)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C19H21N5O3/c1-10(2)24-17-16(8-21-24)14(6-13(9-25)23-17)18(26)20-7-15-11(3)5-12(4)22-19(15)27/h5-6,8-10H,7H2,1-4H3,(H,20,26)(H,22,27)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325931
PNG
(US10273223, Compound B-25 | US9637472, Compound B-...)
Show SMILES CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(nc2n(ncc12)C(C)C)C1=CC(C)(C)NC(C)(C)C1
Show InChI InChI=1S/C28H38N6O2/c1-9-18-10-17(4)31-26(36)21(18)14-29-25(35)20-11-23(19-12-27(5,6)33-28(7,8)13-19)32-24-22(20)15-30-34(24)16(2)3/h10-12,15-16,33H,9,13-14H2,1-8H3,(H,29,35)(H,31,36)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325934
PNG
(US10273223, Compound B-28 | US9637472, Compound B-...)
Show SMILES CC(C)n1ncc2c(cc(nc12)C1=CCN(CC1)C(=O)C1CCCNC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325935
PNG
(US10273223, Compound B-29 | US9637472, Compound B-...)
Show SMILES CC(C)n1ncc2c(cc(nc12)C1CCN(CC1)C1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C28H39N7O2/c1-17(2)35-26-24(16-31-35)22(27(36)30-15-23-18(3)13-19(4)32-28(23)37)14-25(33-26)20-7-11-34(12-8-20)21-5-9-29-10-6-21/h13-14,16-17,20-21,29H,5-12,15H2,1-4H3,(H,30,36)(H,32,37)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM325936
PNG
(US10273223, Compound B-30 | US9637472, Compound B-...)
Show SMILES CC(C)n1ncc2c(cc(nc12)C1=CCN(CC1)C(=O)C1CNC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C27H33N7O3/c1-15(2)34-24-22(14-30-34)20(25(35)29-13-21-16(3)9-17(4)31-26(21)36)10-23(32-24)18-5-7-33(8-6-18)27(37)19-11-28-12-19/h5,9-10,14-15,19,28H,6-8,11-13H2,1-4H3,(H,29,35)(H,31,36)
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Epizyme Inc

US Patent


Assay Description
Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...


US Patent US9637472 (2017)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2X0693B
More data for this
Ligand-Target Pair
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